{"id":494,"date":"2002-07-12T01:55:00","date_gmt":"2002-07-11T23:55:00","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/wordpress\/?p=494"},"modified":"2026-04-30T19:51:02","modified_gmt":"2026-04-30T17:51:02","slug":"prof-xabier-lopez","status":"publish","type":"reserchers","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/prof-xabier-lopez\/","title":{"rendered":"Prof. Xabier Lopez"},"content":{"rendered":"\n<p><\/p>\n\n\n\n<p><strong>Main Research Interest<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Aluminum Interactions in Biological Systems<\/li>\n\n\n\n<li>Phosphate Ester Hydrolysis<\/li>\n\n\n\n<li>Amide Bond Hydrolysis<\/li>\n\n\n\n<li>Applications of Natural Orbital Functional Theory<\/li>\n\n\n\n<li>Hookean Systems<\/li>\n<\/ul>\n\n\n\n<p><strong>Professional Experience<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>[Nov07 &#8211; ] Professor (TU) of Physical Chemistry at the Department of Chemistry of the University of the Basque Country<\/li>\n\n\n\n<li>[Nov00 &#8211; Nov07] Associate Professor at the Department of Chemistry of the&nbsp;University of the Basque Country.<\/li>\n\n\n\n<li>[Sept 99 -Oct 00] Postdoctoral Research Associate in the group of Prof. W. G. Richards.&nbsp;Oxford Centre for Molecular Science, New Chemistry Lab, Oxford (United Kingdom).<\/li>\n\n\n\n<li>[Jan 97 &#8211; Sept 99] Postdoctoral Research Associate under the supervision of &nbsp;Prof. M. Karplus, Universite Louis Pasteur, Strasbourg (France).<\/li>\n\n\n\n<li>[Mar 96 &#8211; Nov 96] Research Associate with Prof. J.M. Ugalde of the&nbsp;University of the Basque Country, Donostia, Spain<\/li>\n<\/ul>\n\n\n\n<p><strong>Education<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>[1991 &#8211; 1996] &nbsp;Graduate Education: Doctorat in Quantum Chemistry.&nbsp;University of the Basque Country , Donostia , Spain. (Premio Extraordinario de Doctorado)<\/li>\n\n\n\n<li>[1986 &#8211; 1991] &nbsp;Undergraduate Education: Licenciature in Chemistry.&nbsp;Universidad Autonoma de Madrid, Madrid , Spain.<\/li>\n<\/ul>\n\n\n\n<p><strong><br>\n<\/strong><\/p>\n\n\n<div class=\"teachpress_pub_list\"><form name=\"tppublistform\" method=\"get\"><a name=\"tppubs\" id=\"tppubs\"><\/a><\/form><table class=\"teachpress_publication_list\"><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2026\">2026<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">191.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luna, Emelin;  Olazabal, Ion; de Somer, Tobias;  Nachtergaele, Pieter;  Lopez, Xabier;  Ximenis, Marta; de Meester, Steven;  Sardon, Haritz<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('936','tp_links')\" style=\"cursor:pointer;\">Solvent switch strategy to facilitate the downstream process of chemical recycling of plastics<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Resources, Conservation and Recycling, <\/span><span class=\"tp_pub_additional_volume\">vol. 226, <\/span><span class=\"tp_pub_additional_year\">2026<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0921-3449<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_936\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('936','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_936\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('936','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_936\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Luna2026b,<br \/>\r\ntitle = {Solvent switch strategy to facilitate the downstream process of chemical recycling of plastics},<br \/>\r\nauthor = {Emelin Luna and Ion Olazabal and Tobias de Somer and Pieter Nachtergaele and Xabier Lopez and Marta Ximenis and Steven de Meester and Haritz Sardon},<br \/>\r\ndoi = {10.1016\/j.resconrec.2025.108686},<br \/>\r\nissn = {0921-3449},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-23},<br \/>\r\njournal = {Resources, Conservation and Recycling},<br \/>\r\nvolume = {226},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('936','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_936\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.resconrec.2025.108686\" title=\"Follow DOI:10.1016\/j.resconrec.2025.108686\" target=\"_blank\">doi:10.1016\/j.resconrec.2025.108686<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('936','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">190.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Jim\u00e9nez-Garc\u00eda, Juan Carlos;  Zeballos, Nicoll;  L\u00f3pez-Gallego, Fernando;  L\u00f3pez, Xabier;  Sancho, David De<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('933','tp_links')\" style=\"cursor:pointer;\">Mechanistic Determinants of Oriented Enzyme Immobilization from Martini Simulations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">J. Phys. Chem. Lett., <\/span><span class=\"tp_pub_additional_volume\">vol. 17, <\/span><span class=\"tp_pub_additional_number\">no. 7, <\/span><span class=\"tp_pub_additional_pages\">pp. 2094\u20132102, <\/span><span class=\"tp_pub_additional_year\">2026<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1948-7185<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_933\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('933','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_933\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('933','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_933\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Jim\u00e9nez-Garc\u00eda2026,<br \/>\r\ntitle = {Mechanistic Determinants of Oriented Enzyme Immobilization from Martini Simulations},<br \/>\r\nauthor = {Juan Carlos Jim\u00e9nez-Garc\u00eda and Nicoll Zeballos and Fernando L\u00f3pez-Gallego and Xabier L\u00f3pez and David De Sancho},<br \/>\r\ndoi = {10.1021\/acs.jpclett.5c03753},<br \/>\r\nissn = {1948-7185},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-19},<br \/>\r\nurldate = {2026-02-19},<br \/>\r\njournal = {J. Phys. Chem. Lett.},<br \/>\r\nvolume = {17},<br \/>\r\nnumber = {7},<br \/>\r\npages = {2094--2102},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('933','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_933\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpclett.5c03753\" title=\"Follow DOI:10.1021\/acs.jpclett.5c03753\" target=\"_blank\">doi:10.1021\/acs.jpclett.5c03753<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('933','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">189.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Guimar\u00e3es, Amanda R.;  Ballesteros, \u00d3scar R.;  Rivilla, Iv\u00e1n;  Olaizola, Irene;  Odriozola-Gimeno, Mikel; de C\u00f3zar, Abel; de Sancho, David;  Lopez, Xabier;  Banales, Jesus M.;  Coss\u00edo, Fernando P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('935','tp_links')\" style=\"cursor:pointer;\">Computational Analysis of a Next-Generation Platinum-Based Chemotherapies that Induce DNA Double-Strand Breaks<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">J. Chem. Inf. Model., <\/span><span class=\"tp_pub_additional_volume\">vol. 66, <\/span><span class=\"tp_pub_additional_number\">no. 1, <\/span><span class=\"tp_pub_additional_pages\">pp. 668\u2013683, <\/span><span class=\"tp_pub_additional_year\">2026<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1549-960X<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_935\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('935','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_935\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('935','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_935\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Guimar\u00e3es2025,<br \/>\r\ntitle = {Computational Analysis of a Next-Generation Platinum-Based Chemotherapies that Induce DNA Double-Strand Breaks},<br \/>\r\nauthor = {Amanda R. Guimar\u00e3es and \u00d3scar R. Ballesteros and Iv\u00e1n Rivilla and Irene Olaizola and Mikel Odriozola-Gimeno and Abel de C\u00f3zar and David de Sancho and Xabier Lopez and Jesus M. Banales and Fernando P. Coss\u00edo},<br \/>\r\ndoi = {10.1021\/acs.jcim.5c01654},<br \/>\r\nissn = {1549-960X},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-01-12},<br \/>\r\nurldate = {2026-01-12},<br \/>\r\njournal = {J. Chem. Inf. Model.},<br \/>\r\nvolume = {66},<br \/>\r\nnumber = {1},<br \/>\r\npages = {668--683},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('935','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_935\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jcim.5c01654\" title=\"Follow DOI:10.1021\/acs.jcim.5c01654\" target=\"_blank\">doi:10.1021\/acs.jcim.5c01654<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('935','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2025\">2025<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">188.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Sancho, David De;  Lopez, Xabier<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('926','tp_links')\" style=\"cursor:pointer;\">Crossover in aromatic amino acid interaction strength between tyrosine and phenylalanine in biomolecular condensates<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">ELIFE, <\/span><span class=\"tp_pub_additional_volume\">vol. 14, <\/span><span class=\"tp_pub_additional_number\">no. RP104950, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2050-084X<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_926\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('926','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_926\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('926','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_926\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('926','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_926\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{DeSancho2025,<br \/>\r\ntitle = {Crossover in aromatic amino acid interaction strength between tyrosine and phenylalanine in biomolecular condensates},<br \/>\r\nauthor = {David De Sancho and Xabier Lopez},<br \/>\r\ndoi = {10.7554\/elife.104950},<br \/>\r\nissn = {2050-084X},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-12-04},<br \/>\r\nurldate = {2025-12-04},<br \/>\r\njournal = {ELIFE},<br \/>\r\nvolume = {14},<br \/>\r\nnumber = {RP104950},<br \/>\r\npublisher = {eLife Sciences Publications, Ltd},<br \/>\r\nabstract = {&lt;jats:p&gt;Biomolecular condensates often form through the self-assembly of disordered proteins with low-complexity sequences. In these polypeptides, the aromatic amino acids phenylalanine and tyrosine act as key \u2018sticker\u2019 residues, driving the cohesion of dense phases. Recent studies on condensates suggest a hierarchy in sticker strength, with tyrosine being more adhesive than phenylalanine. This hierarchy aligns with experimental data on amino acids solubilities and potentials of mean force derived from atomistic simulations. However, it contradicts conventional chemical intuition based on hydrophobicity scales and pairwise contact statistics from experimental structures of proteins, which suggest that phenylalanine should be the stronger sticker. In this work, we use molecular dynamics simulations and quantum chemistry calculations to resolve this apparent discrepancy. Using simple model peptides and side-chain analogues, we demonstrate that the experimentally observed hierarchy arises from the lower free energy of transfer of tyrosine into the condensate, mediated by both stronger protein-protein interactions and solvation effects in the condensate environment. Notably, as the dielectric constant of the media surrounding the stickers approaches that of an apolar solvent, the trend reverses, and phenylalanine becomes the stronger sticker. These findings highlight the role of the chemical environment in modulating protein-protein interactions, providing a clear explanation for the crossover in sticker strength between tyrosine and phenylalanine in different media.&lt;\/jats:p&gt;},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('926','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_926\" style=\"display:none;\"><div class=\"tp_abstract_entry\">&lt;jats:p&gt;Biomolecular condensates often form through the self-assembly of disordered proteins with low-complexity sequences. In these polypeptides, the aromatic amino acids phenylalanine and tyrosine act as key \u2018sticker\u2019 residues, driving the cohesion of dense phases. Recent studies on condensates suggest a hierarchy in sticker strength, with tyrosine being more adhesive than phenylalanine. This hierarchy aligns with experimental data on amino acids solubilities and potentials of mean force derived from atomistic simulations. However, it contradicts conventional chemical intuition based on hydrophobicity scales and pairwise contact statistics from experimental structures of proteins, which suggest that phenylalanine should be the stronger sticker. In this work, we use molecular dynamics simulations and quantum chemistry calculations to resolve this apparent discrepancy. Using simple model peptides and side-chain analogues, we demonstrate that the experimentally observed hierarchy arises from the lower free energy of transfer of tyrosine into the condensate, mediated by both stronger protein-protein interactions and solvation effects in the condensate environment. Notably, as the dielectric constant of the media surrounding the stickers approaches that of an apolar solvent, the trend reverses, and phenylalanine becomes the stronger sticker. These findings highlight the role of the chemical environment in modulating protein-protein interactions, providing a clear explanation for the crossover in sticker strength between tyrosine and phenylalanine in different media.&lt;\/jats:p&gt;<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('926','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_926\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.7554\/elife.104950\" title=\"Follow DOI:10.7554\/elife.104950\" target=\"_blank\">doi:10.7554\/elife.104950<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('926','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">187.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Olaizola, Irene;  Odriozola-Gimeno, Mikel;  Olaizola, Paula;  Caballero-Camino, Francisco J.;  Pastor-Toyos, Noelia;  Tena-Garitaonaindia, Mireia;  Lapitz, Ainhoa;  Val, Beatriz;  Guimaraes, Amanda R.;  Asensio, Maitane;  Huici-Izagirre, Maider;  Rae, Colin; de Sancho, David;  Lopez, Xabier;  Rodrigues, Pedro M.;  Herraez, Elisa;  Briz, Oscar;  Izquierdo-Sanchez, Laura;  Eleta-Lopez, Aitziber;  Bittner, Alexander M.;  Martinez-Amesti, Ana;  Miranda, Teresa;  Ilyas, Sumera I.;  Braconi, Chiara;  Perugorria, Maria J.;  Bujanda, Luis;  Rivilla, Iv\u00e1n;  Marin, Jose J. G.;  Coss\u00edo, Fernando P.;  Banales, Jesus M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('920','tp_links')\" style=\"cursor:pointer;\">New platinum derivatives selectively cause double-strand DNA breaks and death in na\u00efve and cisplatin-resistant cholangiocarcinomas<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Hepatology, <\/span><span class=\"tp_pub_additional_volume\">vol. 83, <\/span><span class=\"tp_pub_additional_number\">no. 5, <\/span><span class=\"tp_pub_additional_pages\">pp. 1077\u20131091, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0168-8278<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_920\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('920','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_920\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('920','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_920\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Olaizola2025,<br \/>\r\ntitle = {New platinum derivatives selectively cause double-strand DNA breaks and death in na\u00efve and cisplatin-resistant cholangiocarcinomas},<br \/>\r\nauthor = {Irene Olaizola and Mikel Odriozola-Gimeno and Paula Olaizola and Francisco J. Caballero-Camino and Noelia Pastor-Toyos and Mireia Tena-Garitaonaindia and Ainhoa Lapitz and Beatriz Val and Amanda R. Guimaraes and Maitane Asensio and Maider Huici-Izagirre and Colin Rae and David de Sancho and Xabier Lopez and Pedro M. Rodrigues and Elisa Herraez and Oscar Briz and Laura Izquierdo-Sanchez and Aitziber Eleta-Lopez and Alexander M. Bittner and Ana Martinez-Amesti and Teresa Miranda and Sumera I. Ilyas and Chiara Braconi and Maria J. Perugorria and Luis Bujanda and Iv\u00e1n Rivilla and Jose J.G. Marin and Fernando P. Coss\u00edo and Jesus M. Banales},<br \/>\r\ndoi = {10.1016\/j.jhep.2025.04.034},<br \/>\r\nissn = {0168-8278},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-11-04},<br \/>\r\njournal = {Journal of Hepatology},<br \/>\r\nvolume = {83},<br \/>\r\nnumber = {5},<br \/>\r\npages = {1077--1091},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('920','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_920\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jhep.2025.04.034\" title=\"Follow DOI:10.1016\/j.jhep.2025.04.034\" target=\"_blank\">doi:10.1016\/j.jhep.2025.04.034<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('920','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">186.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Urriolabeitia, Asier;  Contreras-Garc\u00eda, Julia;  Sancho, David De;  L\u00f3pez, Xabier<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('921','tp_links')\" style=\"cursor:pointer;\">Resolving Molecular Interactions in Protein Folding Trajectories with NCIPLOT<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">J. Chem. Inf. Model., <\/span><span class=\"tp_pub_additional_volume\">vol. 65, <\/span><span class=\"tp_pub_additional_number\">no. 19, <\/span><span class=\"tp_pub_additional_pages\">pp. 10613\u201310623, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1549-960X<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_921\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('921','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_921\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('921','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_921\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Urriolabeitia2025,<br \/>\r\ntitle = {Resolving Molecular Interactions in Protein Folding Trajectories with NCIPLOT},<br \/>\r\nauthor = {Asier Urriolabeitia and Julia Contreras-Garc\u00eda and David De Sancho and Xabier L\u00f3pez},<br \/>\r\ndoi = {10.1021\/acs.jcim.5c01501},<br \/>\r\nissn = {1549-960X},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-10-13},<br \/>\r\nurldate = {2025-10-13},<br \/>\r\njournal = {J. Chem. Inf. Model.},<br \/>\r\nvolume = {65},<br \/>\r\nnumber = {19},<br \/>\r\npages = {10613--10623},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('921','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_921\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jcim.5c01501\" title=\"Follow DOI:10.1021\/acs.jcim.5c01501\" target=\"_blank\">doi:10.1021\/acs.jcim.5c01501<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('921','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">185.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lude\u00f1a, Eduardo V.;  Ugalde, Jesus M.;  Lopez, Xabier;  Bouchard, Louis-S.;  Mujica, Vladimiro<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('923','tp_links')\" style=\"cursor:pointer;\">Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron\u2013phonon coupling, and electron\u2013electron correlation. An application to NMR-based chiral discrimination<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_volume\">vol. 163, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-7690<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_923\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('923','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_923\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('923','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_923\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('923','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_923\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Lude\u00f1a2025,<br \/>\r\ntitle = {Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron\u2013phonon coupling, and electron\u2013electron correlation. An application to NMR-based chiral discrimination},<br \/>\r\nauthor = {Eduardo V. Lude\u00f1a and Jesus M. Ugalde and Xabier Lopez and Louis-S. Bouchard and Vladimiro Mujica},<br \/>\r\ndoi = {10.1063\/5.0272982},<br \/>\r\nissn = {1089-7690},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-09-28},<br \/>\r\nurldate = {2025-09-28},<br \/>\r\nvolume = {163},<br \/>\r\nnumber = {12},<br \/>\r\npublisher = {AIP Publishing},<br \/>\r\nabstract = {&lt;jats:p&gt;The current status of the theoretical foundations of the Chiral-Induced Spin Selectivity (CISS) effect has substantially improved from its original one-electron formulation. However, there is a need to improve the inclusion of electron\u2013vibrational interaction, the exchange and correlation effects arising from electron\u2013electron interactions, and non-Born\u2013Oppenheimer coupling to enhance the predictive power of the theory and its agreement with experiments. In an attempt to overcome these difficulties, we advance in the present work a microscopic quantum mechanical treatment of CISS based on the relativistic Breit\u2013Pauli many-particle Hamiltonian. In particular, we determine in this context the effect that including non-Born\u2013Oppenheimer components arising in a Taylor expansion of the electron\u2013nuclear potential has on the spin\u2013orbit coupling term of this Hamiltonian. We also consider in this framework the electron\u2013electron exchange and correlation effects and propose some practical approximations based on non-relativistic approaches. Finally, we extend the application of the Breit\u2013Pauli Hamiltonian to describe nuclear\u2013nuclear spin interactions and discuss the possibility of explaining enantiomeric selectivity in cross-polarization nuclear magnetic resonance experiments.&lt;\/jats:p&gt;},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('923','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_923\" style=\"display:none;\"><div class=\"tp_abstract_entry\">&lt;jats:p&gt;The current status of the theoretical foundations of the Chiral-Induced Spin Selectivity (CISS) effect has substantially improved from its original one-electron formulation. However, there is a need to improve the inclusion of electron\u2013vibrational interaction, the exchange and correlation effects arising from electron\u2013electron interactions, and non-Born\u2013Oppenheimer coupling to enhance the predictive power of the theory and its agreement with experiments. In an attempt to overcome these difficulties, we advance in the present work a microscopic quantum mechanical treatment of CISS based on the relativistic Breit\u2013Pauli many-particle Hamiltonian. In particular, we determine in this context the effect that including non-Born\u2013Oppenheimer components arising in a Taylor expansion of the electron\u2013nuclear potential has on the spin\u2013orbit coupling term of this Hamiltonian. We also consider in this framework the electron\u2013electron exchange and correlation effects and propose some practical approximations based on non-relativistic approaches. Finally, we extend the application of the Breit\u2013Pauli Hamiltonian to describe nuclear\u2013nuclear spin interactions and discuss the possibility of explaining enantiomeric selectivity in cross-polarization nuclear magnetic resonance experiments.&lt;\/jats:p&gt;<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('923','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_923\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/5.0272982\" title=\"Follow DOI:10.1063\/5.0272982\" target=\"_blank\">doi:10.1063\/5.0272982<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('923','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">184.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Balahoju, Shivaprasad Achary;  Bhattacharjee, Nicholus;  Lezama, Luis;  Lopez, Xabier;  Salcedo-Abraira, Pablo;  Rodr\u00edguez-Di\u00e9guez, Antonio;  Reta, Daniel<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('916','tp_links')\" style=\"cursor:pointer;\">Radical Formation by Direct Single Electron Transfer between Nitrobenzene and Anionic Organo Bases<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">ACS Omega, <\/span><span class=\"tp_pub_additional_volume\">vol. 10, <\/span><span class=\"tp_pub_additional_number\">no. 22, <\/span><span class=\"tp_pub_additional_pages\">pp. 23798\u201323807, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2470-1343<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_916\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('916','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_916\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('916','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_916\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Balahoju2025,<br \/>\r\ntitle = {Radical Formation by Direct Single Electron Transfer between Nitrobenzene and Anionic Organo Bases},<br \/>\r\nauthor = {Shivaprasad Achary Balahoju and Nicholus Bhattacharjee and Luis Lezama and Xabier Lopez and Pablo Salcedo-Abraira and Antonio Rodr\u00edguez-Di\u00e9guez and Daniel Reta},<br \/>\r\ndoi = {10.1021\/acsomega.5c02989},<br \/>\r\nissn = {2470-1343},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-06-10},<br \/>\r\njournal = {ACS Omega},<br \/>\r\nvolume = {10},<br \/>\r\nnumber = {22},<br \/>\r\npages = {23798--23807},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('916','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_916\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acsomega.5c02989\" title=\"Follow DOI:10.1021\/acsomega.5c02989\" target=\"_blank\">doi:10.1021\/acsomega.5c02989<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('916','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">183.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Xu, Xiang;  Soriano-Agueda, Luis;  L\u00f3pez, Xabier;  Ramos-Cordoba, Eloy;  Matito, Eduard<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('912','tp_links')\" style=\"cursor:pointer;\">How many distinct and reliable multireference diagnostics are there?<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_volume\">vol. 162, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-7690<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_912\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('912','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_912\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('912','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_912\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('912','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_912\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Xu2025,<br \/>\r\ntitle = {How many distinct and reliable multireference diagnostics are there?},<br \/>\r\nauthor = {Xiang Xu and Luis Soriano-Agueda and Xabier L\u00f3pez and Eloy Ramos-Cordoba and Eduard Matito},<br \/>\r\ndoi = {10.1063\/5.0250636},<br \/>\r\nissn = {1089-7690},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-03-28},<br \/>\r\nvolume = {162},<br \/>\r\nnumber = {12},<br \/>\r\npublisher = {AIP Publishing},<br \/>\r\nabstract = {<jats:p>Economical multireference (MR) diagnostics are essential for high-throughput computational studies, enabling the rapid and accurate identification of molecules affected by nondynamic correlation within large molecular datasets. Although various MR diagnostics have been proposed, benchmarking studies that help identify the criteria for an effective diagnostic are still scarce. In this article, we examine a wide range of correlation measures to evaluate their potential as MR diagnostics. We identify a small set of valid size-intensive correlation measures based on maximum metrics, exhibiting similar predictive values. Among these, we highlight INDmax, which offers an easy interpretation: it captures the largest deviation of a natural orbital occupancy from the boundary values corresponding to a single-reference wave function. No energy-based correlation measure was found suitable for constructing MR diagnostics. Finally, we demonstrate how average correlation measures, although not suitable as MR diagnostics, can provide a more comprehensive view of electron correlation within the molecule.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('912','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_912\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Economical multireference (MR) diagnostics are essential for high-throughput computational studies, enabling the rapid and accurate identification of molecules affected by nondynamic correlation within large molecular datasets. Although various MR diagnostics have been proposed, benchmarking studies that help identify the criteria for an effective diagnostic are still scarce. In this article, we examine a wide range of correlation measures to evaluate their potential as MR diagnostics. We identify a small set of valid size-intensive correlation measures based on maximum metrics, exhibiting similar predictive values. Among these, we highlight INDmax, which offers an easy interpretation: it captures the largest deviation of a natural orbital occupancy from the boundary values corresponding to a single-reference wave function. No energy-based correlation measure was found suitable for constructing MR diagnostics. Finally, we demonstrate how average correlation measures, although not suitable as MR diagnostics, can provide a more comprehensive view of electron correlation within the molecule.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('912','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_912\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/5.0250636\" title=\"Follow DOI:10.1063\/5.0250636\" target=\"_blank\">doi:10.1063\/5.0250636<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('912','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">182.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Silva-Brea, D.;  Aduriz-Arrizabalaga, J.;  Sancho, D. De;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('901','tp_links')\" style=\"cursor:pointer;\">Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 264, <\/span><span class=\"tp_pub_additional_pages\">pp. 112807, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_901\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('901','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_901\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('901','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_901\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Silva-Brea2025,<br \/>\r\ntitle = {Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations},<br \/>\r\nauthor = {D. Silva-Brea and J. Aduriz-Arrizabalaga and D. De Sancho and X. Lopez},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2024.112807},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-03-03},<br \/>\r\nurldate = {2025-03-03},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {264},<br \/>\r\npages = {112807},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('901','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_901\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2024.112807\" title=\"Follow DOI:10.1016\/j.jinorgbio.2024.112807\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2024.112807<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('901','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">181.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lanuza, Jose;  Sanchez-Gonzalez, \u00c1ngel;  Lopez, Xabier;  Gil, Adria<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('906','tp_links')\" style=\"cursor:pointer;\">How can polyoxometalates have phosphodiesterase Activity? Unravelling the catalytic effect of heptamolybdate in the hydrolysis of phosphodiester models<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Inorganic Chemistry Communications, <\/span><span class=\"tp_pub_additional_volume\">vol. 174, <\/span><span class=\"tp_pub_additional_number\">no. 174, <\/span><span class=\"tp_pub_additional_pages\">pp. 113908, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1387-7003<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_906\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('906','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_906\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('906','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_906\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Lanuza2025b,<br \/>\r\ntitle = {How can polyoxometalates have phosphodiesterase Activity? Unravelling the catalytic effect of heptamolybdate in the hydrolysis of phosphodiester models},<br \/>\r\nauthor = {Jose Lanuza and \u00c1ngel Sanchez-Gonzalez and Xabier Lopez and Adria Gil},<br \/>\r\ndoi = {10.1016\/j.inoche.2025.113908},<br \/>\r\nissn = {1387-7003},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-02-04},<br \/>\r\njournal = {Inorganic Chemistry Communications},<br \/>\r\nvolume = {174},<br \/>\r\nnumber = {174},<br \/>\r\npages = {113908},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('906','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_906\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.inoche.2025.113908\" title=\"Follow DOI:10.1016\/j.inoche.2025.113908\" target=\"_blank\">doi:10.1016\/j.inoche.2025.113908<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('906','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2024\">2024<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">180.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, Mario;  Lopez, Xabier;  Ugalde, Jesus M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('900','tp_links')\" style=\"cursor:pointer;\">Time-Resolved Chemical Bonding Structure Evolution by Direct-Dynamics Chemical Simulations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">J. Phys. Chem. Lett., <\/span><span class=\"tp_pub_additional_volume\">vol. 15, <\/span><span class=\"tp_pub_additional_issue\">iss. 49, <\/span><span class=\"tp_pub_additional_pages\">pp. 12138-12143, <\/span><span class=\"tp_pub_additional_year\">2024<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1948-7185<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_900\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('900','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_900\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('900','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_900\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('900','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_900\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Piris2024b,<br \/>\r\ntitle = {Time-Resolved Chemical Bonding Structure Evolution by Direct-Dynamics Chemical Simulations},<br \/>\r\nauthor = {Mario Piris and Xabier Lopez and Jesus M. Ugalde},<br \/>\r\ndoi = {10.1021\/acs.jpclett.4c03010},<br \/>\r\nissn = {1948-7185},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-11-28},<br \/>\r\nurldate = {2024-11-28},<br \/>\r\njournal = {J. Phys. Chem. Lett.},<br \/>\r\nvolume = {15},<br \/>\r\nissue = {49},<br \/>\r\npages = {12138-12143},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nabstract = {Direct-dynamics simulations monitor atomic nuclei trajectories during chemical reactions, where chemical bonds are broken and new ones are formed. While they provide valuable information about the ongoing nuclear dynamics, the evolution of the chemical bonds is customarily overlooked, thus, hindering key information about the reaction mechanism. Here we examine the evolution of the chemical bonds for the three main mechanisms of the F\u2013 + CH3CH2Cl reaction using quasi-classical trajectories for the nuclei, and global natural orbitals for the electrons. Key findings include (i) bimolecular nucleophilic substitution (SN2) resembles a one-step bond breaking and formation process; (ii) the elimination mechanisms (syn- and anti-E2) feature a sequential two-step process of proton abstraction and Cl\u2013 elimination; and (iii) the anti-E2 mechanism is slower, exhibits rebound effects, and gets activated by specific vibrational modes. This study highlights the importance of correctly describing and thoroughly analyzing the dynamical evolution of chemical bonds for chemical reaction mechanistic studies.},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('900','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_900\" style=\"display:none;\"><div class=\"tp_abstract_entry\">Direct-dynamics simulations monitor atomic nuclei trajectories during chemical reactions, where chemical bonds are broken and new ones are formed. While they provide valuable information about the ongoing nuclear dynamics, the evolution of the chemical bonds is customarily overlooked, thus, hindering key information about the reaction mechanism. Here we examine the evolution of the chemical bonds for the three main mechanisms of the F\u2013 + CH3CH2Cl reaction using quasi-classical trajectories for the nuclei, and global natural orbitals for the electrons. Key findings include (i) bimolecular nucleophilic substitution (SN2) resembles a one-step bond breaking and formation process; (ii) the elimination mechanisms (syn- and anti-E2) feature a sequential two-step process of proton abstraction and Cl\u2013 elimination; and (iii) the anti-E2 mechanism is slower, exhibits rebound effects, and gets activated by specific vibrational modes. This study highlights the importance of correctly describing and thoroughly analyzing the dynamical evolution of chemical bonds for chemical reaction mechanistic studies.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('900','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_900\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpclett.4c03010\" title=\"Follow DOI:10.1021\/acs.jpclett.4c03010\" target=\"_blank\">doi:10.1021\/acs.jpclett.4c03010<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('900','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">179.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Hink, Fabian;  Aduriz-Arrizabalaga, Julen;  Lopez, Xabier;  Suga, Hiroaki;  Sancho, David De;  Rogers, Joseph M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('892','tp_links')\" style=\"cursor:pointer;\">Mixed Stereochemistry Macrocycle Acts as a Helix-Stabilizing Peptide N-Cap<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">J. Am. Chem. Soc., <\/span><span class=\"tp_pub_additional_volume\">vol. 146, <\/span><span class=\"tp_pub_additional_number\">no. 35, <\/span><span class=\"tp_pub_additional_pages\">pp. 24348\u201324357, <\/span><span class=\"tp_pub_additional_year\">2024<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-5126<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_892\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('892','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_892\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('892','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_892\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Hink2024,<br \/>\r\ntitle = {Mixed Stereochemistry Macrocycle Acts as a Helix-Stabilizing Peptide N-Cap},<br \/>\r\nauthor = {Fabian Hink and Julen Aduriz-Arrizabalaga and Xabier Lopez and Hiroaki Suga and David De Sancho and Joseph M. Rogers},<br \/>\r\ndoi = {10.1021\/jacs.4c05378},<br \/>\r\nissn = {1520-5126},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-09-04},<br \/>\r\njournal = {J. Am. Chem. Soc.},<br \/>\r\nvolume = {146},<br \/>\r\nnumber = {35},<br \/>\r\npages = {24348--24357},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('892','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_892\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jacs.4c05378\" title=\"Follow DOI:10.1021\/jacs.4c05378\" target=\"_blank\">doi:10.1021\/jacs.4c05378<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('892','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">178.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Iturralde, Maialen;  Ripoll, Magdalena; di Silvio, Desir\u00e9;  Gallego, Marta;  Grajales\u2010Hern\u00e1ndez, Daniel A.;  L\u00f3pez, Xabier;  Betancor, Lorena;  L\u00f3pez\u2010Gallego, Fernando<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('878','tp_links')\" style=\"cursor:pointer;\">Artificial Spores as Multi\u2010Functional Biocatalysts to Perform Biosynthetic Cascades<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Adv Funct Materials, <\/span><span class=\"tp_pub_additional_year\">2024<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1616-3028<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_878\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('878','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_878\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('878','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_878\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('878','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_878\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Iturralde2024,<br \/>\r\ntitle = {Artificial Spores as Multi\u2010Functional Biocatalysts to Perform Biosynthetic Cascades},<br \/>\r\nauthor = {Maialen Iturralde and Magdalena Ripoll and Desir\u00e9 di Silvio and Marta Gallego and Daniel A. Grajales\u2010Hern\u00e1ndez and Xabier L\u00f3pez and Lorena Betancor and Fernando L\u00f3pez\u2010Gallego},<br \/>\r\ndoi = {10.1002\/adfm.202406097},<br \/>\r\nissn = {1616-3028},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-05-25},<br \/>\r\njournal = {Adv Funct Materials},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {<jats:title>Abstract<\/jats:title><jats:p>Cells exhibit diverse structural formations such as biofilms and spores, enabling them to acquire novel functionalities. Many of these structures display biomacromolecules, including enzymes, tethered to cell walls to support various extracellular processes. Alternatively, encapsulating single cells with polymer coatings offers a strategy that circumvents the need for genetic engineering while imparting artificial functionalities to cells. Here, a universal method is presented for encapsulating single gram\u2010negative microbes with polymeric coatings based on the ancestral gall ink formed by tannic acid\u2010iron complexes. As a result, synthetic spores are achieved that selectively bind His\u2010tagged enzymes through the formation of unprecedented galloyl\/imidazole\u2010Fe<jats:sup>2+<\/jats:sup> complexes via ligand substitution demonstrated by density functional theory. These synthetic spores with a thickness of 41.5\u00a0\u00b1\u00a04.2\u00a0nm and a stiffness of 6.0\u00a0\u00b1\u00a03.5 GPa serve as biocatalytic materials for the one\u2010pot oxidative amination of diols into amino alcohols, facilitated by the cooperative catalysis between intracellular endogenous or recombinant oxidoreductases, and an extracellular transaminase from <jats:italic>Pseudomonas fluorescens<\/jats:italic> displayed at the spore surface. These spores maintain their performance in three consecutive batch cycles. Integrating isolated enzymes onto the surface of engineered microbes coated with polymers offers novel opportunities for synthetic biology, advancing the efficiency of biosynthetic cascades in solid\u2010state environments.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('878','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_878\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:title>Abstract<\/jats:title><jats:p>Cells exhibit diverse structural formations such as biofilms and spores, enabling them to acquire novel functionalities. Many of these structures display biomacromolecules, including enzymes, tethered to cell walls to support various extracellular processes. Alternatively, encapsulating single cells with polymer coatings offers a strategy that circumvents the need for genetic engineering while imparting artificial functionalities to cells. Here, a universal method is presented for encapsulating single gram\u2010negative microbes with polymeric coatings based on the ancestral gall ink formed by tannic acid\u2010iron complexes. As a result, synthetic spores are achieved that selectively bind His\u2010tagged enzymes through the formation of unprecedented galloyl\/imidazole\u2010Fe<jats:sup>2+<\/jats:sup> complexes via ligand substitution demonstrated by density functional theory. These synthetic spores with a thickness of 41.5\u00a0\u00b1\u00a04.2\u00a0nm and a stiffness of 6.0\u00a0\u00b1\u00a03.5 GPa serve as biocatalytic materials for the one\u2010pot oxidative amination of diols into amino alcohols, facilitated by the cooperative catalysis between intracellular endogenous or recombinant oxidoreductases, and an extracellular transaminase from <jats:italic>Pseudomonas fluorescens<\/jats:italic> displayed at the spore surface. These spores maintain their performance in three consecutive batch cycles. Integrating isolated enzymes onto the surface of engineered microbes coated with polymers offers novel opportunities for synthetic biology, advancing the efficiency of biosynthetic cascades in solid\u2010state environments.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('878','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_878\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/adfm.202406097\" title=\"Follow DOI:10.1002\/adfm.202406097\" target=\"_blank\">doi:10.1002\/adfm.202406097<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('878','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">177.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Silva-Brea, D.;  Aduriz-Arrizabalaga, J.;  Sancho, D. De;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('904','tp_links')\" style=\"cursor:pointer;\">Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 264, <\/span><span class=\"tp_pub_additional_year\">2024<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_904\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('904','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_904\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('904','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_904\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Silva-Brea2025b,<br \/>\r\ntitle = {Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations},<br \/>\r\nauthor = {D. Silva-Brea and J. Aduriz-Arrizabalaga and D. De Sancho and X. Lopez},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2024.112807},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-02-06},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {264},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('904','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_904\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2024.112807\" title=\"Follow DOI:10.1016\/j.jinorgbio.2024.112807\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2024.112807<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('904','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">3.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Alghrably, Mawadda;  Tammam, Mohamed A.;  Koutsaviti, Aikaterini;  Roussis, Vassilios;  Lopez, Xabier;  Bennici, Giulia;  Sharfalddin, Abeer;  Almahasheer, Hanan;  Duarte, Carlos M.;  Emwas, Abdul-Hamid;  Ioannou, Efstathia;  Jaremko, Mariusz<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('891','tp_links')\" style=\"cursor:pointer;\">Metabolites from Marine Macroorganisms of the Red Sea Acting as Promoters or Inhibitors of Amylin Aggregation<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Biomolecules, <\/span><span class=\"tp_pub_additional_volume\">vol. 14, <\/span><span class=\"tp_pub_additional_number\">no. 8, <\/span><span class=\"tp_pub_additional_year\">2024<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2218-273X<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_891\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('891','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_891\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('891','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_891\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('891','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_891\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Alghrably2024,<br \/>\r\ntitle = {Metabolites from Marine Macroorganisms of the Red Sea Acting as Promoters or Inhibitors of Amylin Aggregation},<br \/>\r\nauthor = {Mawadda Alghrably and Mohamed A. Tammam and Aikaterini Koutsaviti and Vassilios Roussis and Xabier Lopez and Giulia Bennici and Abeer Sharfalddin and Hanan Almahasheer and Carlos M. Duarte and Abdul-Hamid Emwas and Efstathia Ioannou and Mariusz Jaremko},<br \/>\r\ndoi = {10.3390\/biom14080951},<br \/>\r\nissn = {2218-273X},<br \/>\r\njournal = {Biomolecules},<br \/>\r\nvolume = {14},<br \/>\r\nnumber = {8},<br \/>\r\npublisher = {MDPI AG},<br \/>\r\nabstract = {<jats:p>Amylin is part of the endocrine pancreatic system that contributes to glycemic control, regulating blood glucose levels. However, human amylin has a high tendency to aggregate, forming isolated amylin deposits that are observed in patients with type 2 diabetes mellitus. In search of new inhibitors of amylin aggregation, we undertook the chemical analyses of five marine macroorganisms encountered in high populations in the Red Sea and selected a panel of 10 metabolites belonging to different chemical classes to evaluate their ability to inhibit the formation of amyloid deposits in the human amylin peptide. The thioflavin T assay was used to examine the kinetics of amyloid aggregation, and atomic force microscopy was employed to conduct a thorough morphological examination of the formed fibrils. The potential ability of these compounds to interact with the backbone of peptides and compete with \u03b2-sheet formation was analyzed by quantum calculations, and the interactions with the amylin peptide were computationally examined using molecular docking. Despite their structural similarity, it could be observed that the hydrophobic and hydrogen bond interactions of pyrrolidinones 9 and 10 with the protein sheets result in one case in a stable aggregation, while in the other, they cause distortion from aggregation.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('891','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_891\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Amylin is part of the endocrine pancreatic system that contributes to glycemic control, regulating blood glucose levels. However, human amylin has a high tendency to aggregate, forming isolated amylin deposits that are observed in patients with type 2 diabetes mellitus. In search of new inhibitors of amylin aggregation, we undertook the chemical analyses of five marine macroorganisms encountered in high populations in the Red Sea and selected a panel of 10 metabolites belonging to different chemical classes to evaluate their ability to inhibit the formation of amyloid deposits in the human amylin peptide. The thioflavin T assay was used to examine the kinetics of amyloid aggregation, and atomic force microscopy was employed to conduct a thorough morphological examination of the formed fibrils. The potential ability of these compounds to interact with the backbone of peptides and compete with \u03b2-sheet formation was analyzed by quantum calculations, and the interactions with the amylin peptide were computationally examined using molecular docking. Despite their structural similarity, it could be observed that the hydrophobic and hydrogen bond interactions of pyrrolidinones 9 and 10 with the protein sheets result in one case in a stable aggregation, while in the other, they cause distortion from aggregation.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('891','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_891\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.3390\/biom14080951\" title=\"Follow DOI:10.3390\/biom14080951\" target=\"_blank\">doi:10.3390\/biom14080951<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('891','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2023\">2023<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">176.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Xu, Xiang;  Soriano-Agueda, Luis;  L\u00f3pez, Xabier;  Ramos-Cordoba, Eloy;  Matito, Eduard<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('858','tp_links')\" style=\"cursor:pointer;\">All-Purpose Measure of Electron Correlation for Multireference Diagnostics<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">J. Chem. Theory Comput., <\/span><span class=\"tp_pub_additional_volume\">vol. 20, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_pages\">pp. 721\u2013727, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1549-9626<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_858\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('858','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_858\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('858','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_858\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Xu2023,<br \/>\r\ntitle = {All-Purpose Measure of Electron Correlation for Multireference Diagnostics},<br \/>\r\nauthor = {Xiang Xu and Luis Soriano-Agueda and Xabier L\u00f3pez and Eloy Ramos-Cordoba and Eduard Matito},<br \/>\r\ndoi = {10.1021\/acs.jctc.3c01073},<br \/>\r\nissn = {1549-9626},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-12-29},<br \/>\r\nurldate = {2024-01-23},<br \/>\r\njournal = {J. Chem. Theory Comput.},<br \/>\r\nvolume = {20},<br \/>\r\nnumber = {2},<br \/>\r\npages = {721--727},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('858','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_858\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jctc.3c01073\" title=\"Follow DOI:10.1021\/acs.jctc.3c01073\" target=\"_blank\">doi:10.1021\/acs.jctc.3c01073<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('858','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">175.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Aduriz-Arrizabalaga, Julen;  Mercero, Jose M.;  Sancho, David De;  Lopez, Xabier<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('848','tp_links')\" style=\"cursor:pointer;\">Rules governing metal coordination in A\u03b2\u2013Zn(<scp>ii<\/scp>) complex models from quantum mechanical calculations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Phys. Chem. Chem. Phys., <\/span><span class=\"tp_pub_additional_volume\">vol. 25, <\/span><span class=\"tp_pub_additional_number\">no. 40, <\/span><span class=\"tp_pub_additional_pages\">pp. 27618\u201327627, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9084<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_848\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('848','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_848\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('848','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_848\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('848','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_848\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Aduriz-Arrizabalaga2023,<br \/>\r\ntitle = {Rules governing metal coordination in A\u03b2\u2013Zn(<scp>ii<\/scp>) complex models from quantum mechanical calculations},<br \/>\r\nauthor = {Julen Aduriz-Arrizabalaga and Jose M. Mercero and David De Sancho and Xabier Lopez},<br \/>\r\ndoi = {10.1039\/d3cp02070c},<br \/>\r\nissn = {1463-9084},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-10-18},<br \/>\r\njournal = {Phys. Chem. Chem. Phys.},<br \/>\r\nvolume = {25},<br \/>\r\nnumber = {40},<br \/>\r\npages = {27618--27627},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>QM cluster calculations explain the tendency found in the PDB of A\u03b2\u2013Zn(<jats:sc>ii<\/jats:sc>) complexes to be arranged in tetrahedral coordination shells with Zn(<jats:sc>ii<\/jats:sc>) interacting with mixed His and Glu\/Asp residues.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('848','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_848\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>QM cluster calculations explain the tendency found in the PDB of A\u03b2\u2013Zn(<jats:sc>ii<\/jats:sc>) complexes to be arranged in tetrahedral coordination shells with Zn(<jats:sc>ii<\/jats:sc>) interacting with mixed His and Glu\/Asp residues.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('848','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_848\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d3cp02070c\" title=\"Follow DOI:10.1039\/d3cp02070c\" target=\"_blank\">doi:10.1039\/d3cp02070c<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('848','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">174.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Telleria-Allika, X.;  Mercero, J. M.;  Ugalde, J. M.;  Lopez, X.;  Matxain, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('274','tp_links')\" style=\"cursor:pointer;\">Few electron systems confined in Gaussian potential wells and connection to Hooke atoms<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Quantum Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 123, <\/span><span class=\"tp_pub_additional_number\">no. 5, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-7608<\/span><span class=\"tp_pub_additional_note\">, (Telleria-Allika, Xabier Mercero, Jose M. Ugalde, Jesus M. Lopez, Xabier Matxain, Jon M. \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Mercero, Jose M.\/E-6828-2010 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Mercero, Jose M.\/0000-0003-4857-6685 \r\n1097-461x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_274\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('274','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_274\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('274','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_274\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN2,<br \/>\r\ntitle = {Few electron systems confined in Gaussian potential wells and connection to Hooke atoms},<br \/>\r\nauthor = {X. Telleria-Allika and J. M. Mercero and J. M. Ugalde and X. Lopez and J. M. Matxain},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000882059200001},<br \/>\r\ndoi = {10.1002\/qua.27043},<br \/>\r\nissn = {0020-7608},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-01-01},<br \/>\r\njournal = {International Journal of Quantum Chemistry},<br \/>\r\nvolume = {123},<br \/>\r\nnumber = {5},<br \/>\r\nnote = {Telleria-Allika, Xabier Mercero, Jose M. Ugalde, Jesus M. Lopez, Xabier Matxain, Jon M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Mercero, Jose M.\/E-6828-2010 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Mercero, Jose M.\/0000-0003-4857-6685 <br \/>\r\n1097-461x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('274','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_274\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000882059200001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000882059200001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000882059200001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/qua.27043\" title=\"Follow DOI:10.1002\/qua.27043\" target=\"_blank\">doi:10.1002\/qua.27043<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('274','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">173.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Telleria-Allika, X.;  Ugalde, J. M.;  Matito, E.;  Ramos-Cordoba, E.;  Rodriuez-Mayorga, M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('772','tp_links')\" style=\"cursor:pointer;\">Aufbau principle and singlet-triplet gap in spherical Hooke atoms<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Quantum Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 123, <\/span><span class=\"tp_pub_additional_number\">no. 3, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-7608<\/span><span class=\"tp_pub_additional_note\">, (Telleria-Allika, Xabier Ugalde, Jesus M. Matito, Eduard Ramos-Cordoba, Eloy Rodriguez-Mayorga, Mauricio Lopez, Xabier \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Matito, Eduard\/A-6532-2009; Ramos Cordoba, Eloy\/D-2830-2013 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Matito, Eduard\/0000-0001-6895-4562; Ramos Cordoba, Eloy\/0000-0002-6558-7821 \r\n1097-461x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_772\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('772','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_772\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('772','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_772\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN3,<br \/>\r\ntitle = {Aufbau principle and singlet-triplet gap in spherical Hooke atoms},<br \/>\r\nauthor = {X. Telleria-Allika and J. M. Ugalde and E. Matito and E. Ramos-Cordoba and M. Rodriuez-Mayorga and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000867834000001},<br \/>\r\ndoi = {10.1002\/qua.27019},<br \/>\r\nissn = {0020-7608},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-01-01},<br \/>\r\njournal = {International Journal of Quantum Chemistry},<br \/>\r\nvolume = {123},<br \/>\r\nnumber = {3},<br \/>\r\nnote = {Telleria-Allika, Xabier Ugalde, Jesus M. Matito, Eduard Ramos-Cordoba, Eloy Rodriguez-Mayorga, Mauricio Lopez, Xabier <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Matito, Eduard\/A-6532-2009; Ramos Cordoba, Eloy\/D-2830-2013 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Matito, Eduard\/0000-0001-6895-4562; Ramos Cordoba, Eloy\/0000-0002-6558-7821 <br \/>\r\n1097-461x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('772','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_772\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000867834000001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000867834000001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000867834000001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/qua.27019\" title=\"Follow DOI:10.1002\/qua.27019\" target=\"_blank\">doi:10.1002\/qua.27019<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('772','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">6.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Azpitarte, Oksana;  Zudaire, Ane;  Uranga, Jon;  Lopez, Xabier;  Salassa, Luca;  Formoso, Elena;  Rezabal, Elixabete<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('842','tp_links')\" style=\"cursor:pointer;\">One\u2010 and Two\u2010Electron Reductions in MiniSOG and their Implication in Catalysis**<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">ChemPhysChem, <\/span><span class=\"tp_pub_additional_volume\">vol. 24, <\/span><span class=\"tp_pub_additional_number\">no. 15, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1439-7641<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_842\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('842','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_842\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('842','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_842\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('842','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_842\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Azpitarte2023,<br \/>\r\ntitle = {One\u2010 and Two\u2010Electron Reductions in MiniSOG and their Implication in Catalysis**},<br \/>\r\nauthor = {Oksana Azpitarte and Ane Zudaire and Jon Uranga and Xabier Lopez and Luca Salassa and Elena Formoso and Elixabete Rezabal},<br \/>\r\ndoi = {10.1002\/cphc.202300091},<br \/>\r\nissn = {1439-7641},<br \/>\r\njournal = {ChemPhysChem},<br \/>\r\nvolume = {24},<br \/>\r\nnumber = {15},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {<jats:title>Abstract<\/jats:title><jats:p>The unconventional bioorthogonal catalytic activation of anticancer metal complexes by flavin and flavoproteins photocatalysis has been reported recently. The reactivity is based on a two\u2010electron redox reaction of the photoactivated flavin. Furthermore, when it comes to flavoproteins, we recently reported that site mutagenesis can modulate and improve this catalytic activity in the mini Singlet Oxygen Generator protein (SOG). In this paper, we analyze the reductive half\u2010reaction in different miniSOG environments by means of density functional theory. We report that the redox properties of flavin and the resulting reactivity of miniSOG is modulated by specific mutations, which is in line with the experimental results in the literature. This modulation can be attributed to the fundamental physicochemical properties of the system, specifically (i) the competition of single and double reduction of the flavin and (ii) the probability of electron transfer from the protein to the flavin. These factors are ultimately linked to the stability of flavin\u2018s electron\u2010accepting orbitals in different coordination modes.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('842','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_842\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:title>Abstract<\/jats:title><jats:p>The unconventional bioorthogonal catalytic activation of anticancer metal complexes by flavin and flavoproteins photocatalysis has been reported recently. The reactivity is based on a two\u2010electron redox reaction of the photoactivated flavin. Furthermore, when it comes to flavoproteins, we recently reported that site mutagenesis can modulate and improve this catalytic activity in the mini Singlet Oxygen Generator protein (SOG). In this paper, we analyze the reductive half\u2010reaction in different miniSOG environments by means of density functional theory. We report that the redox properties of flavin and the resulting reactivity of miniSOG is modulated by specific mutations, which is in line with the experimental results in the literature. This modulation can be attributed to the fundamental physicochemical properties of the system, specifically (i) the competition of single and double reduction of the flavin and (ii) the probability of electron transfer from the protein to the flavin. These factors are ultimately linked to the stability of flavin\u2018s electron\u2010accepting orbitals in different coordination modes.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('842','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_842\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cphc.202300091\" title=\"Follow DOI:10.1002\/cphc.202300091\" target=\"_blank\">doi:10.1002\/cphc.202300091<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('842','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">5.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Silva-Brea, David; de Sancho, David;  Lopez, Xabier<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('843','tp_links')\" style=\"cursor:pointer;\">Influence of metal binding on the conformational landscape of neurofilament peptides<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Phys. Chem. Chem. Phys., <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9084<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_843\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('843','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_843\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('843','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_843\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('843','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_843\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Silva-Brea2023,<br \/>\r\ntitle = {Influence of metal binding on the conformational landscape of neurofilament peptides},<br \/>\r\nauthor = {David Silva-Brea and David de Sancho and Xabier Lopez},<br \/>\r\ndoi = {10.1039\/d3cp03179a},<br \/>\r\nissn = {1463-9084},<br \/>\r\njournal = {Phys. Chem. Chem. Phys.},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>In order to understand the preferred modes of chelation in metal-binding peptides, quantum mechanical calculations can be used to compute energies, resulting in a hierarchy of binding affinities.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('843','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_843\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>In order to understand the preferred modes of chelation in metal-binding peptides, quantum mechanical calculations can be used to compute energies, resulting in a hierarchy of binding affinities.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('843','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_843\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d3cp03179a\" title=\"Follow DOI:10.1039\/d3cp03179a\" target=\"_blank\">doi:10.1039\/d3cp03179a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('843','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">4.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Silva-Brea, David; de Sancho, David;  Lopez, Xabier<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('845','tp_links')\" style=\"cursor:pointer;\">Entropy-enthalpy interplay in aluminum bound neurofilaments<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Biophysical Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 122, <\/span><span class=\"tp_pub_additional_number\">no. 3, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0006-3495<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_845\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('845','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_845\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('845','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_845\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Silva-Brea2023b,<br \/>\r\ntitle = {Entropy-enthalpy interplay in aluminum bound neurofilaments},<br \/>\r\nauthor = {David Silva-Brea and David de Sancho and Xabier Lopez},<br \/>\r\ndoi = {10.1016\/j.bpj.2022.11.1221},<br \/>\r\nissn = {0006-3495},<br \/>\r\njournal = {Biophysical Journal},<br \/>\r\nvolume = {122},<br \/>\r\nnumber = {3},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('845','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_845\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.bpj.2022.11.1221\" title=\"Follow DOI:10.1016\/j.bpj.2022.11.1221\" target=\"_blank\">doi:10.1016\/j.bpj.2022.11.1221<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('845','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2022\">2022<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">172.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Almenara, N.;  Garralda, M. A.;  Lopez, X.;  Matxain, J. M.;  Freixa, Z.;  Huertos, M. A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('291','tp_links')\" style=\"cursor:pointer;\">Hydrogen Tunneling in Catalytic Hydrolysis and Alcoholysis of Silanes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Angewandte Chemie-International Edition, <\/span><span class=\"tp_pub_additional_volume\">vol. 61, <\/span><span class=\"tp_pub_additional_number\">no. 36, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1433-7851<\/span><span class=\"tp_pub_additional_note\">, (Almenara, Naroa Garralda, Maria A. Lopez, Xabier Matxain, Jon M. Freixa, Zoraida Huertos, Miguel A. \r\nHuertos, Miguel A\/K-4242-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Freixa, Zoraida\/K-4294-2014 \r\nHuertos, Miguel A\/0000-0002-5315-5642; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; GARRALDA HUALDE, MARIA ANGELES\/0000-0001-6058-0412; Freixa, Zoraida\/0000-0002-2044-2725 \r\n1521-3773)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_291\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('291','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_291\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('291','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_291\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN338,<br \/>\r\ntitle = {Hydrogen Tunneling in Catalytic Hydrolysis and Alcoholysis of Silanes},<br \/>\r\nauthor = {N. Almenara and M. A. Garralda and X. Lopez and J. M. Matxain and Z. Freixa and M. A. Huertos},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000832624500001},<br \/>\r\ndoi = {10.1002\/anie.202204558},<br \/>\r\nissn = {1433-7851},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Angewandte Chemie-International Edition},<br \/>\r\nvolume = {61},<br \/>\r\nnumber = {36},<br \/>\r\nnote = {Almenara, Naroa Garralda, Maria A. Lopez, Xabier Matxain, Jon M. Freixa, Zoraida Huertos, Miguel A. <br \/>\r\nHuertos, Miguel A\/K-4242-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Freixa, Zoraida\/K-4294-2014 <br \/>\r\nHuertos, Miguel A\/0000-0002-5315-5642; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; GARRALDA HUALDE, MARIA ANGELES\/0000-0001-6058-0412; Freixa, Zoraida\/0000-0002-2044-2725 <br \/>\r\n1521-3773},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('291','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_291\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000832624500001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000832624500001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000832624500001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/anie.202204558\" title=\"Follow DOI:10.1002\/anie.202204558\" target=\"_blank\">doi:10.1002\/anie.202204558<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('291','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">171.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luzuriaga, I. O.;  Elleuchi, S.;  Jarraya, K.;  Artacho, E.;  Lopez, X.;  Gil, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('340','tp_links')\" style=\"cursor:pointer;\">Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 24, <\/span><span class=\"tp_pub_additional_number\">no. 19, <\/span><span class=\"tp_pub_additional_pages\">pp. 11510-11519, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Ortiz de Luzuriaga, Iker Elleuchi, Sawssen Jarraya, Khaled Artacho, Emilio Lopez, Xabier Gil, Adria \r\nArtacho, Emilio\/G-2616-2015; Lopez, Xabier\/G-5690-2015; Gil-Mestres, Adria\/C-6383-2014; Ortiz de Luzuriaga, Iker\/A-8392-2019 \r\nArtacho, Emilio\/0000-0001-9357-1547; Lopez, Xabier\/0000-0002-2711-3588; Gil-Mestres, Adria\/0000-0002-7161-980X; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472 \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_340\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('340','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_340\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('340','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_340\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN343,<br \/>\r\ntitle = {Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules},<br \/>\r\nauthor = {I. O. Luzuriaga and S. Elleuchi and K. Jarraya and E. Artacho and X. Lopez and A. Gil},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000776784700001},<br \/>\r\ndoi = {10.1039\/d2cp00214k},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {24},<br \/>\r\nnumber = {19},<br \/>\r\npages = {11510-11519},<br \/>\r\nnote = {Ortiz de Luzuriaga, Iker Elleuchi, Sawssen Jarraya, Khaled Artacho, Emilio Lopez, Xabier Gil, Adria <br \/>\r\nArtacho, Emilio\/G-2616-2015; Lopez, Xabier\/G-5690-2015; Gil-Mestres, Adria\/C-6383-2014; Ortiz de Luzuriaga, Iker\/A-8392-2019 <br \/>\r\nArtacho, Emilio\/0000-0001-9357-1547; Lopez, Xabier\/0000-0002-2711-3588; Gil-Mestres, Adria\/0000-0002-7161-980X; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472 <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('340','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_340\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000776784700001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000776784700001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000776784700001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d2cp00214k\" title=\"Follow DOI:10.1039\/d2cp00214k\" target=\"_blank\">doi:10.1039\/d2cp00214k<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('340','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">170.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luzuriaga, I. O.;  Sanchez-Gonzalez, A.;  Synoradzki, W.;  Lopez, X.;  Gil, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('342','tp_links')\" style=\"cursor:pointer;\">Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 24, <\/span><span class=\"tp_pub_additional_number\">no. 42, <\/span><span class=\"tp_pub_additional_pages\">pp. 25918-25929, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (de Luzuriaga, Iker Ortiz Sanchez-Gonzalez, Angel Synoradzki, Wojciech Lopez, Xabier Gil, Adria \r\nSanchez-Gonzalez, Angel\/IAR-1746-2023; Lopez, Xabier\/G-5690-2015; Ortiz de Luzuriaga, Iker\/A-8392-2019; Gil-Mestres, Adria\/C-6383-2014 \r\nSanchez-Gonzalez, Angel\/0000-0003-4594-602X; Lopez, Xabier\/0000-0002-2711-3588; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Gil-Mestres, Adria\/0000-0002-7161-980X \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_342\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('342','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_342\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('342','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_342\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN337,<br \/>\r\ntitle = {Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands},<br \/>\r\nauthor = {I. O. Luzuriaga and A. Sanchez-Gonzalez and W. Synoradzki and X. Lopez and A. Gil},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000869870400001},<br \/>\r\ndoi = {10.1039\/d2cp02241a},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {24},<br \/>\r\nnumber = {42},<br \/>\r\npages = {25918-25929},<br \/>\r\nnote = {de Luzuriaga, Iker Ortiz Sanchez-Gonzalez, Angel Synoradzki, Wojciech Lopez, Xabier Gil, Adria <br \/>\r\nSanchez-Gonzalez, Angel\/IAR-1746-2023; Lopez, Xabier\/G-5690-2015; Ortiz de Luzuriaga, Iker\/A-8392-2019; Gil-Mestres, Adria\/C-6383-2014 <br \/>\r\nSanchez-Gonzalez, Angel\/0000-0003-4594-602X; Lopez, Xabier\/0000-0002-2711-3588; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Gil-Mestres, Adria\/0000-0002-7161-980X <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('342','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_342\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000869870400001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000869870400001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000869870400001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d2cp02241a\" title=\"Follow DOI:10.1039\/d2cp02241a\" target=\"_blank\">doi:10.1039\/d2cp02241a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('342','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">169.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lachowicz, J. I.;  Mateddu, A.;  Coni, P.;  Caltagirone, C.;  Murgia, S.;  Gibson, D.;  Torre, G.;  Lopez, X.;  Meloni, F.;  Pichiri, G.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('524','tp_links')\" style=\"cursor:pointer;\">Study of the DNA binding mechanism and in vitro activity against cancer cells of iron(iii) and aluminium(iii) kojic acid derivative complexes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Dalton Transactions, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1477-9226<\/span><span class=\"tp_pub_additional_note\">, (Lachowicz, Joanna, I Mateddu, Anna Coni, Pierpaolo Caltagirone, Claudia Murgia, Sergio Gibson, Dan dalla Torre, Gabriele Lopez, Xabier Meloni, Federico Pichiri, Giuseppina \r\nDalla Torre, Gabriele\/T-3733-2017; Lachowicz, Joanna Izabela\/A-8687-2013; Murgia, Sergio\/F-7042-2013 \r\nDalla Torre, Gabriele\/0000-0002-9652-9659; CALTAGIRONE, CLAUDIA\/0000-0002-4302-0234; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Murgia, Sergio\/0000-0002-9986-0638 \r\n1477-9234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_524\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('524','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_524\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('524','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_524\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN342,<br \/>\r\ntitle = {Study of the DNA binding mechanism and in vitro activity against cancer cells of iron(iii) and aluminium(iii) kojic acid derivative complexes},<br \/>\r\nauthor = {J. I. Lachowicz and A. Mateddu and P. Coni and C. Caltagirone and S. Murgia and D. Gibson and G. Torre and X. Lopez and F. Meloni and G. Pichiri},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000777733500001},<br \/>\r\ndoi = {10.1039\/d2dt00111j},<br \/>\r\nissn = {1477-9226},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Dalton Transactions},<br \/>\r\nnote = {Lachowicz, Joanna, I Mateddu, Anna Coni, Pierpaolo Caltagirone, Claudia Murgia, Sergio Gibson, Dan dalla Torre, Gabriele Lopez, Xabier Meloni, Federico Pichiri, Giuseppina <br \/>\r\nDalla Torre, Gabriele\/T-3733-2017; Lachowicz, Joanna Izabela\/A-8687-2013; Murgia, Sergio\/F-7042-2013 <br \/>\r\nDalla Torre, Gabriele\/0000-0002-9652-9659; CALTAGIRONE, CLAUDIA\/0000-0002-4302-0234; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Murgia, Sergio\/0000-0002-9986-0638 <br \/>\r\n1477-9234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('524','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_524\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000777733500001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000777733500001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000777733500001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d2dt00111j\" title=\"Follow DOI:10.1039\/d2dt00111j\" target=\"_blank\">doi:10.1039\/d2dt00111j<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('524','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">168.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lachowicz, J. I.;  Pichiri, G.;  Piludu, M.;  Fais, S.;  Orru, G.;  Congiu, T.;  Piras, M.;  Faa, G.;  Fanni, D.;  Torre, G. Dalla;  Lopez, X.;  Chandra, K.;  Szczepski, K.;  Jaremko, L.;  Ghosh, M.;  Emwas, A. H.;  Castagnola, M.;  Jaremko, M.;  Hannappel, E.;  Coni, P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('525','tp_links')\" style=\"cursor:pointer;\">Thymosin beta 4 Is an Endogenous Iron Chelator and Molecular Switcher of Ferroptosis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Molecular Sciences, <\/span><span class=\"tp_pub_additional_volume\">vol. 23, <\/span><span class=\"tp_pub_additional_number\">no. 1, <\/span><span class=\"tp_pub_additional_year\">2022<\/span><span class=\"tp_pub_additional_note\">, (Lachowicz, Joanna I. Pichiri, Giusi Piludu, Marco Fais, Sara Orru, Germano Congiu, Terenzio Piras, Monica Faa, Gavino Fanni, Daniela Dalla Torre, Gabriele Lopez, Xabier Chandra, Kousik Szczepski, Kacper Jaremko, Lukasz Ghosh, Mitra Emwas, Abdul-Hamid Castagnola, Massimo Jaremko, Mariusz Hannappel, Ewald Coni, Pierpaolo \r\nFanni, Daniela\/ABD-9643-2020; Jaremko, Lukasz\/A-3101-2009; Jaremko, Lukasz\/GQB-5017-2022; Torre, Gabriele Dalla\/T-3733-2017; Torre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Lachowicz, Joanna Izabela\/A-8687-2013 \r\nFanni, Daniela\/0000-0003-2797-8343; Jaremko, Lukasz\/0000-0001-7684-9359; Torre, Gabriele Dalla\/0000-0002-9652-9659; Torre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Faa, Gavino\/0000-0002-0189-8612; Fais, Sara\/0000-0003-0778-3768; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Szczepski, Kacper\/0000-0003-1038-3538; Pichiri, Giuseppina\/0000-0001-8700-8854 \r\n1422-0067)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_525\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('525','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_525\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('525','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_525\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN346,<br \/>\r\ntitle = {Thymosin beta 4 Is an Endogenous Iron Chelator and Molecular Switcher of Ferroptosis},<br \/>\r\nauthor = {J. I. Lachowicz and G. Pichiri and M. Piludu and S. Fais and G. Orru and T. Congiu and M. Piras and G. Faa and D. Fanni and G. Dalla Torre and X. Lopez and K. Chandra and K. Szczepski and L. Jaremko and M. Ghosh and A. H. Emwas and M. Castagnola and M. Jaremko and E. Hannappel and P. Coni},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000741200000001},<br \/>\r\ndoi = {10.3390\/ijms23010551},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {International Journal of Molecular Sciences},<br \/>\r\nvolume = {23},<br \/>\r\nnumber = {1},<br \/>\r\nnote = {Lachowicz, Joanna I. Pichiri, Giusi Piludu, Marco Fais, Sara Orru, Germano Congiu, Terenzio Piras, Monica Faa, Gavino Fanni, Daniela Dalla Torre, Gabriele Lopez, Xabier Chandra, Kousik Szczepski, Kacper Jaremko, Lukasz Ghosh, Mitra Emwas, Abdul-Hamid Castagnola, Massimo Jaremko, Mariusz Hannappel, Ewald Coni, Pierpaolo <br \/>\r\nFanni, Daniela\/ABD-9643-2020; Jaremko, Lukasz\/A-3101-2009; Jaremko, Lukasz\/GQB-5017-2022; Torre, Gabriele Dalla\/T-3733-2017; Torre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Lachowicz, Joanna Izabela\/A-8687-2013 <br \/>\r\nFanni, Daniela\/0000-0003-2797-8343; Jaremko, Lukasz\/0000-0001-7684-9359; Torre, Gabriele Dalla\/0000-0002-9652-9659; Torre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Faa, Gavino\/0000-0002-0189-8612; Fais, Sara\/0000-0003-0778-3768; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Szczepski, Kacper\/0000-0003-1038-3538; Pichiri, Giuseppina\/0000-0001-8700-8854 <br \/>\r\n1422-0067},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('525','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_525\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000741200000001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000741200000001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000741200000001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.3390\/ijms23010551\" title=\"Follow DOI:10.3390\/ijms23010551\" target=\"_blank\">doi:10.3390\/ijms23010551<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('525','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">167.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lanuza, J.;  Postils, V.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('530','tp_links')\" style=\"cursor:pointer;\">Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH(2) radical scavenging reaction as a test case<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Free Radical Biology and Medicine, <\/span><span class=\"tp_pub_additional_volume\">vol. 179, <\/span><span class=\"tp_pub_additional_pages\">pp. 200-207, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0891-5849<\/span><span class=\"tp_pub_additional_note\">, (Lanuza, Jose Postils, Veronica Lopez, Xabier \r\nLopez, Xabier\/G-5690-2015; Lanuza, Jose\/C-9704-2019 \r\nLopez, Xabier\/0000-0002-2711-3588; Postils Ribo, Veronica\/0000-0002-7467-9277; Lanuza, Jose\/0000-0002-2848-7207 \r\n1873-4596)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_530\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('530','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_530\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('530','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_530\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN345,<br \/>\r\ntitle = {Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH(2) radical scavenging reaction as a test case},<br \/>\r\nauthor = {J. Lanuza and V. Postils and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000753639100007},<br \/>\r\ndoi = {10.1016\/j.freeradbiomed.2021.12.308},<br \/>\r\nissn = {0891-5849},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Free Radical Biology and Medicine},<br \/>\r\nvolume = {179},<br \/>\r\npages = {200-207},<br \/>\r\nnote = {Lanuza, Jose Postils, Veronica Lopez, Xabier <br \/>\r\nLopez, Xabier\/G-5690-2015; Lanuza, Jose\/C-9704-2019 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Postils Ribo, Veronica\/0000-0002-7467-9277; Lanuza, Jose\/0000-0002-2848-7207 <br \/>\r\n1873-4596},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('530','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_530\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000753639100007\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000753639100007\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000753639100007<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.freeradbiomed.2021.12.308\" title=\"Follow DOI:10.1016\/j.freeradbiomed.2021.12.308\" target=\"_blank\">doi:10.1016\/j.freeradbiomed.2021.12.308<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('530','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">166.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Scoditti, S.;  Dabbish, E.;  Pieslinger, G. E.;  Rezabal, E.;  Lopez, X.;  Sicilia, E.;  Salassa, L.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('755','tp_links')\" style=\"cursor:pointer;\">Flavin-mediated photoactivation of Pt(iv) anticancer complexes: computational insights on the catalytic mechanism<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 24, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 5323-5329, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Scoditti, Stefano Dabbish, Eslam Pieslinger, German E. Rezabal, Elixabete Lopez, Xabier Sicilia, Emilia Salassa, Luca \r\nLopez, Xabier\/G-5690-2015; Salassa, Luca\/M-7300-2014; Pieslinger, German\/N-5741-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; dabbish, eslam\/0000-0002-3601-0193; Salassa, Luca\/0000-0002-2112-9095; Scoditti, Stefano\/0000-0001-9384-703X; Pieslinger, German\/0000-0003-1334-5211 \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_755\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('755','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_755\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('755','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_755\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN344,<br \/>\r\ntitle = {Flavin-mediated photoactivation of Pt(iv) anticancer complexes: computational insights on the catalytic mechanism},<br \/>\r\nauthor = {S. Scoditti and E. Dabbish and G. E. Pieslinger and E. Rezabal and X. Lopez and E. Sicilia and L. Salassa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000758346800001},<br \/>\r\ndoi = {10.1039\/d1cp05507k},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {24},<br \/>\r\nnumber = {9},<br \/>\r\npages = {5323-5329},<br \/>\r\nnote = {Scoditti, Stefano Dabbish, Eslam Pieslinger, German E. Rezabal, Elixabete Lopez, Xabier Sicilia, Emilia Salassa, Luca <br \/>\r\nLopez, Xabier\/G-5690-2015; Salassa, Luca\/M-7300-2014; Pieslinger, German\/N-5741-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; dabbish, eslam\/0000-0002-3601-0193; Salassa, Luca\/0000-0002-2112-9095; Scoditti, Stefano\/0000-0001-9384-703X; Pieslinger, German\/0000-0003-1334-5211 <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('755','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_755\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000758346800001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000758346800001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000758346800001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d1cp05507k\" title=\"Follow DOI:10.1039\/d1cp05507k\" target=\"_blank\">doi:10.1039\/d1cp05507k<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('755','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">165.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Telleria-Allika, X.;  Azor, M. E.;  Francois, G.;  Bendazzoli, G. L.;  Matxain, J. M.;  Lopez, X.;  Evangelisti, S.;  Berger, J. A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('771','tp_links')\" style=\"cursor:pointer;\">The Wigner localization of interacting electrons in a one-dimensional harmonic potential<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 157, <\/span><span class=\"tp_pub_additional_number\">no. 17, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Telleria-Allika, Xabier Azor, Miguel Escobar Francois, Gregoire Bendazzoli, Gian Luigi Matxain, Jon M. Lopez, Xabier Evangelisti, Stefano Berger, J. Arjan \r\nBerger, Arjan\/N-2277-2015; Matxain, Jon M.\/J-8184-2014 \r\nBerger, Arjan\/0000-0002-4823-520X; Escobar Azor, Miguel\/0000-0002-8090-0820; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_771\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('771','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_771\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('771','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_771\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN336,<br \/>\r\ntitle = {The Wigner localization of interacting electrons in a one-dimensional harmonic potential},<br \/>\r\nauthor = {X. Telleria-Allika and M. E. Azor and G. Francois and G. L. Bendazzoli and J. M. Matxain and X. Lopez and S. Evangelisti and J. A. Berger},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000880314100003},<br \/>\r\ndoi = {10.1063\/5.0112413},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {157},<br \/>\r\nnumber = {17},<br \/>\r\nnote = {Telleria-Allika, Xabier Azor, Miguel Escobar Francois, Gregoire Bendazzoli, Gian Luigi Matxain, Jon M. Lopez, Xabier Evangelisti, Stefano Berger, J. Arjan <br \/>\r\nBerger, Arjan\/N-2277-2015; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nBerger, Arjan\/0000-0002-4823-520X; Escobar Azor, Miguel\/0000-0002-8090-0820; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('771','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_771\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000880314100003\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000880314100003\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000880314100003<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/5.0112413\" title=\"Follow DOI:10.1063\/5.0112413\" target=\"_blank\">doi:10.1063\/5.0112413<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('771','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">164.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Telleria-Allika, X.;  Mercero, J. M.;  Lopez, X.;  Matxain, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('273','tp_links')\" style=\"cursor:pointer;\">Building machine learning assisted phase diagrams: Three chemically relevant examples<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Aip Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 7, <\/span><span class=\"tp_pub_additional_year\">2022<\/span><span class=\"tp_pub_additional_note\">, (Telleria-Allika, Xabier Mercero, Jose M. Lopez, Xabier Matxain, Jon M. \r\nMatxain, Jon M.\/J-8184-2014; Mercero, Jose M.\/E-6828-2010; , xabier\/G-5690-2015 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Mercero, Jose M.\/0000-0003-4857-6685; , xabier\/0000-0002-2711-3588 \r\n2158-3226)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_273\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('273','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_273\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('273','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_273\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN339,<br \/>\r\ntitle = {Building machine learning assisted phase diagrams: Three chemically relevant examples},<br \/>\r\nauthor = {X. Telleria-Allika and J. M. Mercero and X. Lopez and J. M. Matxain},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000969776600005},<br \/>\r\ndoi = {10.1063\/5.0088784},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Aip Advances},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {7},<br \/>\r\nnote = {Telleria-Allika, Xabier Mercero, Jose M. Lopez, Xabier Matxain, Jon M. <br \/>\r\nMatxain, Jon M.\/J-8184-2014; Mercero, Jose M.\/E-6828-2010; , xabier\/G-5690-2015 <br \/>\r\nMatxain, Jon M.\/0000-0002-6342-0649; Mercero, Jose M.\/0000-0003-4857-6685; , xabier\/0000-0002-2711-3588 <br \/>\r\n2158-3226},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('273','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_273\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000969776600005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000969776600005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000969776600005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/5.0088784\" title=\"Follow DOI:10.1063\/5.0088784\" target=\"_blank\">doi:10.1063\/5.0088784<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('273','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">163.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Urriolabeitia, A.;  Sancho, D. De;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('798','tp_links')\" style=\"cursor:pointer;\">Influence of the Nonprotein Amino Acid Mimosine in PeptideConformational Propensities from Novel Amber Force FieldParameters<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 126, <\/span><span class=\"tp_pub_additional_number\">no. 16, <\/span><span class=\"tp_pub_additional_pages\">pp. 2959-2967, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Urriolabeitia, Asier De Sancho, David Lopez, Xabier \r\nDe Sancho, David\/C-4995-2009; Lopez, Xabier\/G-5690-2015 \r\nDe Sancho, David\/0000-0002-8985-2685; Lopez, Xabier\/0000-0002-2711-3588; Urriolabeitia, Asier\/0000-0001-9352-6922 \r\n1520-5207)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_798\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('798','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_798\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('798','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_798\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN341,<br \/>\r\ntitle = {Influence of the Nonprotein Amino Acid Mimosine in PeptideConformational Propensities from Novel Amber Force FieldParameters},<br \/>\r\nauthor = {A. Urriolabeitia and D. De Sancho and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000796953700004},<br \/>\r\ndoi = {10.1021\/acs.jpcb.1c0991},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {126},<br \/>\r\nnumber = {16},<br \/>\r\npages = {2959-2967},<br \/>\r\nnote = {Urriolabeitia, Asier De Sancho, David Lopez, Xabier <br \/>\r\nDe Sancho, David\/C-4995-2009; Lopez, Xabier\/G-5690-2015 <br \/>\r\nDe Sancho, David\/0000-0002-8985-2685; Lopez, Xabier\/0000-0002-2711-3588; Urriolabeitia, Asier\/0000-0001-9352-6922 <br \/>\r\n1520-5207},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('798','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_798\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000796953700004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000796953700004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000796953700004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpcb.1c0991\" title=\"Follow DOI:10.1021\/acs.jpcb.1c0991\" target=\"_blank\">doi:10.1021\/acs.jpcb.1c0991<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('798','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">162.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Zarroug, R.;  Artetxe, B.;  Ayed, B.;  Lopez, X.;  Ribeiro, N.;  Correia, I.;  Pessoa, J. C.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('819','tp_links')\" style=\"cursor:pointer;\">New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Dalton Transactions, <\/span><span class=\"tp_pub_additional_volume\">vol. 51, <\/span><span class=\"tp_pub_additional_number\">no. 21, <\/span><span class=\"tp_pub_additional_pages\">pp. 8303-8317, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1477-9226<\/span><span class=\"tp_pub_additional_note\">, (Zarroug, Rim Artetxe, Benat Ayed, Brahim Lopez, Xavier Ribeiro, Nadia Correia, Isabel Pessoa, Joao Costa \r\nPessoa, Joao Costa\/H-9078-2012; Ribeiro, N\u00e1dia\/P-2013-2016; Correia, Isabel\/AAH-6847-2021; Artetxe, Be\u00f1at\/N-8025-2015; Ribeiro, N\u00e1dia\/AAE-3116-2021; L\u00f3pez, Xavier\/C-5165-2013 \r\nPessoa, Joao Costa\/0000-0002-3978-9964; Ribeiro, N\u00e1dia\/0000-0003-2725-7781; Correia, Isabel\/0000-0001-7096-4284; Artetxe, Be\u00f1at\/0000-0002-7373-4596; Ribeiro, N\u00e1dia\/0000-0003-2725-7781; ZARROUG, RIM\/0000-0003-3104-8085; Lopez, Xavier\/0000-0003-0322-6796 \r\n1477-9234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_819\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('819','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_819\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('819','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_819\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN340,<br \/>\r\ntitle = {New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules},<br \/>\r\nauthor = {R. Zarroug and B. Artetxe and B. Ayed and X. Lopez and N. Ribeiro and I. Correia and J. C. Pessoa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000797029700001},<br \/>\r\ndoi = {10.1039\/d2dt00690a},<br \/>\r\nissn = {1477-9226},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Dalton Transactions},<br \/>\r\nvolume = {51},<br \/>\r\nnumber = {21},<br \/>\r\npages = {8303-8317},<br \/>\r\nnote = {Zarroug, Rim Artetxe, Benat Ayed, Brahim Lopez, Xavier Ribeiro, Nadia Correia, Isabel Pessoa, Joao Costa <br \/>\r\nPessoa, Joao Costa\/H-9078-2012; Ribeiro, N\u00e1dia\/P-2013-2016; Correia, Isabel\/AAH-6847-2021; Artetxe, Be\u00f1at\/N-8025-2015; Ribeiro, N\u00e1dia\/AAE-3116-2021; L\u00f3pez, Xavier\/C-5165-2013 <br \/>\r\nPessoa, Joao Costa\/0000-0002-3978-9964; Ribeiro, N\u00e1dia\/0000-0003-2725-7781; Correia, Isabel\/0000-0001-7096-4284; Artetxe, Be\u00f1at\/0000-0002-7373-4596; Ribeiro, N\u00e1dia\/0000-0003-2725-7781; ZARROUG, RIM\/0000-0003-3104-8085; Lopez, Xavier\/0000-0003-0322-6796 <br \/>\r\n1477-9234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('819','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_819\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000797029700001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000797029700001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000797029700001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d2dt00690a\" title=\"Follow DOI:10.1039\/d2dt00690a\" target=\"_blank\">doi:10.1039\/d2dt00690a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('819','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2021\">2021<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_inbook\"><td class=\"tp_pub_number\">161.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luzuriaga, I. O.;  Lopez, X.;  Gil, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('341','tp_links')\" style=\"cursor:pointer;\">Learning to Model G-Quadruplexes: Current Methods and Perspectives<\/a> (<span class=\"tp_pub_type tp_  inbook\">Book Chapter<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span> Dill, K. A. (Ed.): <span class=\"tp_pub_additional_booktitle\">Annual Review of Biophysics, Vol 50, 2021, <\/span><span class=\"tp_pub_additional_volume\">vol. 50, <\/span><span class=\"tp_pub_additional_pages\">pp. 209-243, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_isbn\">ISBN: 978-0-8243-1850-5<\/span><span class=\"tp_pub_additional_note\">, (Ortiz de Luzuriaga, Iker Lopez, Xabier Gil, Adria \r\nLopez, Xabier\/G-5690-2015; Gil-Mestres, Adria\/C-6383-2014; Ortiz de Luzuriaga, Iker\/A-8392-2019 \r\nLopez, Xabier\/0000-0002-2711-3588; Gil-Mestres, Adria\/0000-0002-7161-980X; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472 \r\n1936-122x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_341\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('341','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_341\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('341','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_341\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@inbook{RN353,<br \/>\r\ntitle = {Learning to Model G-Quadruplexes: Current Methods and Perspectives},<br \/>\r\nauthor = {I. O. Luzuriaga and X. Lopez and A. Gil},<br \/>\r\neditor = {K. A. Dill},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000654158100010},<br \/>\r\ndoi = {10.1146\/annurev-biophys-060320-091827},<br \/>\r\nisbn = {978-0-8243-1850-5},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\nbooktitle = {Annual Review of Biophysics, Vol 50, 2021},<br \/>\r\nvolume = {50},<br \/>\r\npages = {209-243},<br \/>\r\nseries = {Annual Review of Biophysics},<br \/>\r\nnote = {Ortiz de Luzuriaga, Iker Lopez, Xabier Gil, Adria <br \/>\r\nLopez, Xabier\/G-5690-2015; Gil-Mestres, Adria\/C-6383-2014; Ortiz de Luzuriaga, Iker\/A-8392-2019 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Gil-Mestres, Adria\/0000-0002-7161-980X; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472 <br \/>\r\n1936-122x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {inbook}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('341','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_341\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000654158100010\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000654158100010\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000654158100010<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1146\/annurev-biophys-060320-091827\" title=\"Follow DOI:10.1146\/annurev-biophys-060320-091827\" target=\"_blank\">doi:10.1146\/annurev-biophys-060320-091827<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('341','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">160.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gurruchaga-Pereda, J.;  Martinez-Martinez, V.;  Formoso, E.;  Azpitarte, O.;  Rezabal, E.;  Lopez, X.;  Cortajarena, A. L.;  Salassa, L.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('468','tp_links')\" style=\"cursor:pointer;\">Enhancing the Photocatalytic Conversion of Pt(IV) Substrates by Flavoprotein Engineering<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 19, <\/span><span class=\"tp_pub_additional_pages\">pp. 4504-4508, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1948-7185<\/span><span class=\"tp_pub_additional_note\">, (Gurruchaga-Pereda, Juan Martinez-Martinez, Virginia Formoso, Elena Azpitarte, Oksana Rezabal, Elixabete Lopez, Xabier Cortajarena, Aitziber L. Salassa, Luca \r\nMartinez-Martinez, Virginia\/L-5440-2013; Lopez, Xabier\/G-5690-2015; Formoso, Elena\/E-6834-2010; Salassa, Luca\/M-7300-2014; Cortajarena, Aitziber\/J-6202-2012 \r\nMartinez-Martinez, Virginia\/0000-0001-7551-3714; Lopez, Xabier\/0000-0002-2711-3588; Formoso, Elena\/0000-0002-7106-3717; Salassa, Luca\/0000-0002-2112-9095; Azpitarte, Oksana\/0000-0003-0874-6424; Cortajarena, Aitziber\/0000-0002-5331-114X; Gurruchaga-Pereda, Juan\/0009-0005-6646-7943)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_468\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('468','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_468\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('468','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_468\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN352,<br \/>\r\ntitle = {Enhancing the Photocatalytic Conversion of Pt(IV) Substrates by Flavoprotein Engineering},<br \/>\r\nauthor = {J. Gurruchaga-Pereda and V. Martinez-Martinez and E. Formoso and O. Azpitarte and E. Rezabal and X. Lopez and A. L. Cortajarena and L. Salassa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000655640200005},<br \/>\r\ndoi = {10.1021\/acs.jpclett.1c00802},<br \/>\r\nissn = {1948-7185},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry Letters},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {19},<br \/>\r\npages = {4504-4508},<br \/>\r\nnote = {Gurruchaga-Pereda, Juan Martinez-Martinez, Virginia Formoso, Elena Azpitarte, Oksana Rezabal, Elixabete Lopez, Xabier Cortajarena, Aitziber L. Salassa, Luca <br \/>\r\nMartinez-Martinez, Virginia\/L-5440-2013; Lopez, Xabier\/G-5690-2015; Formoso, Elena\/E-6834-2010; Salassa, Luca\/M-7300-2014; Cortajarena, Aitziber\/J-6202-2012 <br \/>\r\nMartinez-Martinez, Virginia\/0000-0001-7551-3714; Lopez, Xabier\/0000-0002-2711-3588; Formoso, Elena\/0000-0002-7106-3717; Salassa, Luca\/0000-0002-2112-9095; Azpitarte, Oksana\/0000-0003-0874-6424; Cortajarena, Aitziber\/0000-0002-5331-114X; Gurruchaga-Pereda, Juan\/0009-0005-6646-7943},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('468','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_468\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000655640200005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000655640200005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000655640200005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpclett.1c00802\" title=\"Follow DOI:10.1021\/acs.jpclett.1c00802\" target=\"_blank\">doi:10.1021\/acs.jpclett.1c00802<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('468','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">159.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lachowicz, J. I.;  Todde, D.;  Aberamchuk, K.;  Picci, G.;  Murgia, S.;  Nurchi, V. M.;  Klepka, M.;  Kalinowska, D.;  Torre, G. Dalla;  Mujika, J.;  Lopez, X.;  Caltagirone, C.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('526','tp_links')\" style=\"cursor:pointer;\">Kojic acid derivatives as double face ligands for metal and phosphate ions<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 222, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Lachowicz, Joanna, I Todde, Debora Aberamchuk, Krystsina Picci, Giacomo Murgia, Sergio Nurchi, Valeria M. Klepka, Marcin Kalinowska, Diana Dalla Torre, Gabriele Mujika, Joni Lopez, Xabier Caltagirone, Claudia \r\nTorre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Klepka, Marcin T\/A-9911-2012; Kalinowska, Diana\/V-5711-2017 \r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Klepka, Marcin T\/0000-0002-0455-0726; Kalinowska, Diana\/0000-0003-4761-8329 \r\n1873-3344)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_526\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('526','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_526\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('526','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_526\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN350,<br \/>\r\ntitle = {Kojic acid derivatives as double face ligands for metal and phosphate ions},<br \/>\r\nauthor = {J. I. Lachowicz and D. Todde and K. Aberamchuk and G. Picci and S. Murgia and V. M. Nurchi and M. Klepka and D. Kalinowska and G. Dalla Torre and J. Mujika and X. Lopez and C. Caltagirone},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000745038000010},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2021.111520},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {222},<br \/>\r\nnote = {Lachowicz, Joanna, I Todde, Debora Aberamchuk, Krystsina Picci, Giacomo Murgia, Sergio Nurchi, Valeria M. Klepka, Marcin Kalinowska, Diana Dalla Torre, Gabriele Mujika, Joni Lopez, Xabier Caltagirone, Claudia <br \/>\r\nTorre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Klepka, Marcin T\/A-9911-2012; Kalinowska, Diana\/V-5711-2017 <br \/>\r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Klepka, Marcin T\/0000-0002-0455-0726; Kalinowska, Diana\/0000-0003-4761-8329 <br \/>\r\n1873-3344},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('526','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_526\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000745038000010\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000745038000010\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000745038000010<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2021.111520\" title=\"Follow DOI:10.1016\/j.jinorgbio.2021.111520\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2021.111520<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('526','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">158.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lanuza, J.;  Sanchez-Gonzalez, A.;  Bandeira, N. A. G.;  Lopez, X.;  Gil, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('531','tp_links')\" style=\"cursor:pointer;\">Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2C12(DMF)(2)<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Inorganic Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 60, <\/span><span class=\"tp_pub_additional_number\">no. 15, <\/span><span class=\"tp_pub_additional_pages\">pp. 11177-11191, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-1669<\/span><span class=\"tp_pub_additional_note\">, (Lanuza, Jose Sanchez-Gonzalez, Angel Bandeira, Nuno A. G. Lopez, Xabier Gil, Adria \r\nSanchez-Gonzalez, Angel\/IAR-1746-2023; Bandeira, Nuno A. G.\/B-6399-2012; Lopez, Xabier\/G-5690-2015; Lanuza, Jose\/C-9704-2019; Gil-Mestres, Adria\/C-6383-2014 \r\nSanchez-Gonzalez, Angel\/0000-0003-4594-602X; Bandeira, Nuno A. G.\/0000-0002-5754-7328; Lopez, Xabier\/0000-0002-2711-3588; Lanuza, Jose\/0000-0002-2848-7207; Gil-Mestres, Adria\/0000-0002-7161-980X \r\n1520-510x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_531\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('531','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_531\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('531','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_531\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN349,<br \/>\r\ntitle = {Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2C12(DMF)(2)},<br \/>\r\nauthor = {J. Lanuza and A. Sanchez-Gonzalez and N. A. G. Bandeira and X. Lopez and A. Gil},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000682991300035},<br \/>\r\ndoi = {10.1021\/acs.inorgchem.1c01088},<br \/>\r\nissn = {0020-1669},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Inorganic Chemistry},<br \/>\r\nvolume = {60},<br \/>\r\nnumber = {15},<br \/>\r\npages = {11177-11191},<br \/>\r\nnote = {Lanuza, Jose Sanchez-Gonzalez, Angel Bandeira, Nuno A. G. Lopez, Xabier Gil, Adria <br \/>\r\nSanchez-Gonzalez, Angel\/IAR-1746-2023; Bandeira, Nuno A. G.\/B-6399-2012; Lopez, Xabier\/G-5690-2015; Lanuza, Jose\/C-9704-2019; Gil-Mestres, Adria\/C-6383-2014 <br \/>\r\nSanchez-Gonzalez, Angel\/0000-0003-4594-602X; Bandeira, Nuno A. G.\/0000-0002-5754-7328; Lopez, Xabier\/0000-0002-2711-3588; Lanuza, Jose\/0000-0002-2848-7207; Gil-Mestres, Adria\/0000-0002-7161-980X <br \/>\r\n1520-510x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('531','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_531\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000682991300035\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000682991300035\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000682991300035<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.inorgchem.1c01088\" title=\"Follow DOI:10.1021\/acs.inorgchem.1c01088\" target=\"_blank\">doi:10.1021\/acs.inorgchem.1c01088<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('531','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">157.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Martins, F. F.;  Sanchez-Gonzalez, A.;  Lanuza, J.;  Miras, H. N.;  Lopez, X.;  Bandeira, N. A.;  Gil, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('603','tp_links')\" style=\"cursor:pointer;\">Probing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis**<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemistry-a European Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 27, <\/span><span class=\"tp_pub_additional_number\">no. 35, <\/span><span class=\"tp_pub_additional_pages\">pp. 8977-8984, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0947-6539<\/span><span class=\"tp_pub_additional_note\">, (Martins, Frederico F. Sanchez-Gonzalez, Angel Lanuza, Jose Miras, Haralampos N. Lopez, Xabier Bandeira, Nuno A. Gil, Adria \r\nLopez, Xabier\/G-5690-2015; Sanchez-Gonzalez, Angel\/IAR-1746-2023; Sanchez-Gonzalez, Angel\/AAU-6148-2021; Miras, Haralampos N.\/C-6345-2014; Bandeira, Nuno A. G.\/B-6399-2012; Gil-Mestres, Adria\/C-6383-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Miras, Haralampos N.\/0000-0002-0086-5173; Bandeira, Nuno A. G.\/0000-0002-5754-7328; Gil-Mestres, Adria\/0000-0002-7161-980X; Martins, Frederico\/0000-0003-1458-2526 \r\n1521-3765)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_603\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('603','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_603\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('603','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_603\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN351,<br \/>\r\ntitle = {Probing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis**},<br \/>\r\nauthor = {F. F. Martins and A. Sanchez-Gonzalez and J. Lanuza and H. N. Miras and X. Lopez and N. A. Bandeira and A. Gil},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000656608300001},<br \/>\r\ndoi = {10.1002\/chem.202004989},<br \/>\r\nissn = {0947-6539},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Chemistry-a European Journal},<br \/>\r\nvolume = {27},<br \/>\r\nnumber = {35},<br \/>\r\npages = {8977-8984},<br \/>\r\nnote = {Martins, Frederico F. Sanchez-Gonzalez, Angel Lanuza, Jose Miras, Haralampos N. Lopez, Xabier Bandeira, Nuno A. Gil, Adria <br \/>\r\nLopez, Xabier\/G-5690-2015; Sanchez-Gonzalez, Angel\/IAR-1746-2023; Sanchez-Gonzalez, Angel\/AAU-6148-2021; Miras, Haralampos N.\/C-6345-2014; Bandeira, Nuno A. G.\/B-6399-2012; Gil-Mestres, Adria\/C-6383-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Miras, Haralampos N.\/0000-0002-0086-5173; Bandeira, Nuno A. G.\/0000-0002-5754-7328; Gil-Mestres, Adria\/0000-0002-7161-980X; Martins, Frederico\/0000-0003-1458-2526 <br \/>\r\n1521-3765},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('603','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_603\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000656608300001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000656608300001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000656608300001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/chem.202004989\" title=\"Follow DOI:10.1002\/chem.202004989\" target=\"_blank\">doi:10.1002\/chem.202004989<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('603','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">156.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mitxelena, I.;  Lopez, X.;  Sancho, D.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('628','tp_links')\" style=\"cursor:pointer;\">Markov state models from hierarchical density-based assignment<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 155, <\/span><span class=\"tp_pub_additional_number\">no. 5, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Mitxelena, Ion Lopez, Xabier de Sancho, David \r\nDe Sancho, David\/C-4995-2009; Lopez, Xabier\/G-5690-2015 \r\nDe Sancho, David\/0000-0002-8985-2685; Lopez, Xabier\/0000-0002-2711-3588; MITXELENA, ION\/0000-0003-1064-5139 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_628\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('628','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_628\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('628','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_628\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN347,<br \/>\r\ntitle = {Markov state models from hierarchical density-based assignment},<br \/>\r\nauthor = {I. Mitxelena and X. Lopez and D. Sancho},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000680138500013},<br \/>\r\ndoi = {10.1063\/5.0056748},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {155},<br \/>\r\nnumber = {5},<br \/>\r\nnote = {Mitxelena, Ion Lopez, Xabier de Sancho, David <br \/>\r\nDe Sancho, David\/C-4995-2009; Lopez, Xabier\/G-5690-2015 <br \/>\r\nDe Sancho, David\/0000-0002-8985-2685; Lopez, Xabier\/0000-0002-2711-3588; MITXELENA, ION\/0000-0003-1064-5139 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('628','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_628\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000680138500013\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000680138500013\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000680138500013<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/5.0056748\" title=\"Follow DOI:10.1063\/5.0056748\" target=\"_blank\">doi:10.1063\/5.0056748<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('628','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">155.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Sanchez-Gonzalez, A.;  Bandeira, N. A. G.;  Luzuriaga, I. O.;  Martins, F. F.;  Elleuchi, S.;  Jarraya, K.;  Lanuza, J.;  Lopez, X.;  Calhorda, M. J.;  Gil, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('740','tp_links')\" style=\"cursor:pointer;\">New Insights on the Interaction of Phenanthroline Based Ligands and Metal Complexes and Polyoxometalates with Duplex DNA and G-Quadruplexes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Molecules, <\/span><span class=\"tp_pub_additional_volume\">vol. 26, <\/span><span class=\"tp_pub_additional_number\">no. 16, <\/span><span class=\"tp_pub_additional_year\">2021<\/span><span class=\"tp_pub_additional_note\">, (Sanchez-Gonzalez, Angel Bandeira, Nuno A. G. Ortiz de Luzuriaga, Iker Martins, Frederico F. Elleuchi, Sawssen Jarraya, Khaled Lanuza, Jose Lopez, Xabier Calhorda, Maria Jose Gil, Adria \r\nSanchez-Gonzalez, Angel\/IAR-1746-2023; Calhorda, Maria Jose'\/O-8215-2015; Lopez, Xabier\/G-5690-2015; Bandeira, Nuno A. G.\/B-6399-2012; Ortiz de Luzuriaga, Iker\/A-8392-2019; Lanuza, Jose\/C-9704-2019 \r\nSanchez-Gonzalez, Angel\/0000-0003-4594-602X; Calhorda, Maria Jose'\/0000-0002-6872-3569; Lopez, Xabier\/0000-0002-2711-3588; Bandeira, Nuno A. G.\/0000-0002-5754-7328; Martins, Frederico\/0000-0003-1458-2526; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Lanuza, Jose\/0000-0002-2848-7207 \r\n1420-3049)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_740\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('740','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_740\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('740','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_740\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN348,<br \/>\r\ntitle = {New Insights on the Interaction of Phenanthroline Based Ligands and Metal Complexes and Polyoxometalates with Duplex DNA and G-Quadruplexes},<br \/>\r\nauthor = {A. Sanchez-Gonzalez and N. A. G. Bandeira and I. O. Luzuriaga and F. F. Martins and S. Elleuchi and K. Jarraya and J. Lanuza and X. Lopez and M. J. Calhorda and A. Gil},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000689891800001},<br \/>\r\ndoi = {10.3390\/molecules26164737},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Molecules},<br \/>\r\nvolume = {26},<br \/>\r\nnumber = {16},<br \/>\r\nnote = {Sanchez-Gonzalez, Angel Bandeira, Nuno A. G. Ortiz de Luzuriaga, Iker Martins, Frederico F. Elleuchi, Sawssen Jarraya, Khaled Lanuza, Jose Lopez, Xabier Calhorda, Maria Jose Gil, Adria <br \/>\r\nSanchez-Gonzalez, Angel\/IAR-1746-2023; Calhorda, Maria Jose'\/O-8215-2015; Lopez, Xabier\/G-5690-2015; Bandeira, Nuno A. G.\/B-6399-2012; Ortiz de Luzuriaga, Iker\/A-8392-2019; Lanuza, Jose\/C-9704-2019 <br \/>\r\nSanchez-Gonzalez, Angel\/0000-0003-4594-602X; Calhorda, Maria Jose'\/0000-0002-6872-3569; Lopez, Xabier\/0000-0002-2711-3588; Bandeira, Nuno A. G.\/0000-0002-5754-7328; Martins, Frederico\/0000-0003-1458-2526; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Lanuza, Jose\/0000-0002-2848-7207 <br \/>\r\n1420-3049},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('740','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_740\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000689891800001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000689891800001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000689891800001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.3390\/molecules26164737\" title=\"Follow DOI:10.3390\/molecules26164737\" target=\"_blank\">doi:10.3390\/molecules26164737<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('740','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2020\">2020<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">154.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Elleuchi, S.;  Luzuriaga, I. O.;  Sanchez-Gonzalez, A.;  Lopez, X.;  Jarraya, K.;  Calhorda, M. J.;  Gil, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('359','tp_links')\" style=\"cursor:pointer;\">Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Inorganic Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 59, <\/span><span class=\"tp_pub_additional_number\">no. 17, <\/span><span class=\"tp_pub_additional_pages\">pp. 12711-12721, <\/span><span class=\"tp_pub_additional_year\">2020<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-1669<\/span><span class=\"tp_pub_additional_note\">, (Elleuchi, Sawssen Ortiz de Luzuriaga, Iker Sanchez-Gonzalez, Angel Lopez, Xabier Jarraya, Khaled Calhorda, Maria Jose Gil, Adria \r\nLopez, Xabier\/G-5690-2015; Sanchez-Gonzalez, Angel\/AAU-6148-2021; Calhorda, Maria Jose'\/O-8215-2015; Sanchez-Gonzalez, Angel\/IAR-1746-2023; Ortiz de Luzuriaga, Iker\/A-8392-2019; Gil-Mestres, Adria\/C-6383-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Calhorda, Maria Jose'\/0000-0002-6872-3569; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Gil-Mestres, Adria\/0000-0002-7161-980X \r\n1520-510x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_359\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('359','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_359\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('359','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_359\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN355,<br \/>\r\ntitle = {Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands},<br \/>\r\nauthor = {S. Elleuchi and I. O. Luzuriaga and A. Sanchez-Gonzalez and X. Lopez and K. Jarraya and M. J. Calhorda and A. Gil},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000570979900090},<br \/>\r\ndoi = {10.1021\/acs.inorgchem.0c01793},<br \/>\r\nissn = {0020-1669},<br \/>\r\nyear  = {2020},<br \/>\r\ndate = {2020-01-01},<br \/>\r\njournal = {Inorganic Chemistry},<br \/>\r\nvolume = {59},<br \/>\r\nnumber = {17},<br \/>\r\npages = {12711-12721},<br \/>\r\nnote = {Elleuchi, Sawssen Ortiz de Luzuriaga, Iker Sanchez-Gonzalez, Angel Lopez, Xabier Jarraya, Khaled Calhorda, Maria Jose Gil, Adria <br \/>\r\nLopez, Xabier\/G-5690-2015; Sanchez-Gonzalez, Angel\/AAU-6148-2021; Calhorda, Maria Jose'\/O-8215-2015; Sanchez-Gonzalez, Angel\/IAR-1746-2023; Ortiz de Luzuriaga, Iker\/A-8392-2019; Gil-Mestres, Adria\/C-6383-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Calhorda, Maria Jose'\/0000-0002-6872-3569; Sanchez-Gonzalez, Angel\/0000-0003-4594-602X; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Gil-Mestres, Adria\/0000-0002-7161-980X <br \/>\r\n1520-510x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('359','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_359\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000570979900090\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000570979900090\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000570979900090<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.inorgchem.0c01793\" title=\"Follow DOI:10.1021\/acs.inorgchem.0c01793\" target=\"_blank\">doi:10.1021\/acs.inorgchem.0c01793<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('359','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">153.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Exley, C.;  Guerriero, G.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('365','tp_links')\" style=\"cursor:pointer;\">How is silicic acid transported in plants?<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Silicon, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 11, <\/span><span class=\"tp_pub_additional_pages\">pp. 2641-2645, <\/span><span class=\"tp_pub_additional_year\">2020<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1876-990X<\/span><span class=\"tp_pub_additional_note\">, (Exley, Christopher Guerriero, Gea Lopez, Xabier \r\nGuerriero, Gea\/B-4883-2013; Lopez, Xabier\/G-5690-2015 \r\nGuerriero, Gea\/0000-0001-6586-6997; Lopez, Xabier\/0000-0002-2711-3588; Exley, Christopher\/0000-0002-5116-7607 \r\n1876-9918)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_365\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('365','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_365\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('365','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_365\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN354,<br \/>\r\ntitle = {How is silicic acid transported in plants?},<br \/>\r\nauthor = {C. Exley and G. Guerriero and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000572112300016},<br \/>\r\ndoi = {10.1007\/s12633-019-00360-w},<br \/>\r\nissn = {1876-990X},<br \/>\r\nyear  = {2020},<br \/>\r\ndate = {2020-01-01},<br \/>\r\njournal = {Silicon},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {11},<br \/>\r\npages = {2641-2645},<br \/>\r\nnote = {Exley, Christopher Guerriero, Gea Lopez, Xabier <br \/>\r\nGuerriero, Gea\/B-4883-2013; Lopez, Xabier\/G-5690-2015 <br \/>\r\nGuerriero, Gea\/0000-0001-6586-6997; Lopez, Xabier\/0000-0002-2711-3588; Exley, Christopher\/0000-0002-5116-7607 <br \/>\r\n1876-9918},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('365','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_365\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000572112300016\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000572112300016\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000572112300016<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s12633-019-00360-w\" title=\"Follow DOI:10.1007\/s12633-019-00360-w\" target=\"_blank\">doi:10.1007\/s12633-019-00360-w<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('365','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">152.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Grande-Aztatzi, R.;  Formoso, E.;  Mujika, J. I.;  Sancho, D.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('464','tp_links')\" style=\"cursor:pointer;\">Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 210, <\/span><span class=\"tp_pub_additional_year\">2020<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Grande-Aztatzi, Rafael Formoso, Elena Mujika, Jon, I de Sancho, David Lopez, Xabier \r\nGrande-Aztatzi, Rafael\/G-4660-2015; Lopez, Xabier\/G-5690-2015; De Sancho, David\/C-4995-2009; Formoso, Elena\/E-6834-2010 \r\nGrande-Aztatzi, Rafael\/0000-0002-1919-4883; Lopez, Xabier\/0000-0002-2711-3588; De Sancho, David\/0000-0002-8985-2685; Formoso, Elena\/0000-0002-7106-3717 \r\n1873-3344)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_464\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('464','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_464\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('464','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_464\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN356,<br \/>\r\ntitle = {Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation},<br \/>\r\nauthor = {R. Grande-Aztatzi and E. Formoso and J. I. Mujika and D. Sancho and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000564741300006},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2020.111169},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2020},<br \/>\r\ndate = {2020-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {210},<br \/>\r\nnote = {Grande-Aztatzi, Rafael Formoso, Elena Mujika, Jon, I de Sancho, David Lopez, Xabier <br \/>\r\nGrande-Aztatzi, Rafael\/G-4660-2015; Lopez, Xabier\/G-5690-2015; De Sancho, David\/C-4995-2009; Formoso, Elena\/E-6834-2010 <br \/>\r\nGrande-Aztatzi, Rafael\/0000-0002-1919-4883; Lopez, Xabier\/0000-0002-2711-3588; De Sancho, David\/0000-0002-8985-2685; Formoso, Elena\/0000-0002-7106-3717 <br \/>\r\n1873-3344},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('464','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_464\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000564741300006\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000564741300006\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000564741300006<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2020.111169\" title=\"Follow DOI:10.1016\/j.jinorgbio.2020.111169\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2020.111169<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('464','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">151.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gurruchaga-Pereda, J.;  Martinez-Martinez, V.;  Rezabal, E.;  Lopez, X.;  Garino, C.;  Mancin, F.;  Cortajarena, A. L.;  Salassa, L.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('469','tp_links')\" style=\"cursor:pointer;\">Flavin Bioorthogonal Photocatalysis Toward Platinum Substrates<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Acs Catalysis, <\/span><span class=\"tp_pub_additional_volume\">vol. 10, <\/span><span class=\"tp_pub_additional_number\">no. 1, <\/span><span class=\"tp_pub_additional_pages\">pp. 187-196, <\/span><span class=\"tp_pub_additional_year\">2020<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2155-5435<\/span><span class=\"tp_pub_additional_note\">, (Gurruchaga-Pereda, Juan Martinez-Martinez, Virginia Rezabal, Elixabete Lopez, Xabier Garino, Claudio Mancin, Fabrizio Cortajarena, Aitziber L. Salassa, Luca \r\nMancin, Fabrizio\/A-5746-2008; Lopez, Xabier\/G-5690-2015; Garino, Claudio\/AAT-2089-2021; Garino, Claudio\/B-5669-2014; Martinez-Martinez, Virginia\/L-5440-2013; Salassa, Luca\/M-7300-2014; Cortajarena, Aitziber\/J-6202-2012 \r\nMancin, Fabrizio\/0000-0003-0786-0364; Lopez, Xabier\/0000-0002-2711-3588; Garino, Claudio\/0000-0002-7854-6076; Garino, Claudio\/0000-0002-7854-6076; Martinez-Martinez, Virginia\/0000-0001-7551-3714; Salassa, Luca\/0000-0002-2112-9095; REZABAL ASTIGARRAGA, ELIXABETE\/0000-0003-0397-6140; Gurruchaga-Pereda, Juan\/0009-0005-6646-7943; Cortajarena, Aitziber\/0000-0002-5331-114X)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_469\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('469','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_469\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('469','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_469\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN359,<br \/>\r\ntitle = {Flavin Bioorthogonal Photocatalysis Toward Platinum Substrates},<br \/>\r\nauthor = {J. Gurruchaga-Pereda and V. Martinez-Martinez and E. Rezabal and X. Lopez and C. Garino and F. Mancin and A. L. Cortajarena and L. Salassa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000506725100022},<br \/>\r\ndoi = {10.1021\/acscatal.9b02863},<br \/>\r\nissn = {2155-5435},<br \/>\r\nyear  = {2020},<br \/>\r\ndate = {2020-01-01},<br \/>\r\njournal = {Acs Catalysis},<br \/>\r\nvolume = {10},<br \/>\r\nnumber = {1},<br \/>\r\npages = {187-196},<br \/>\r\nnote = {Gurruchaga-Pereda, Juan Martinez-Martinez, Virginia Rezabal, Elixabete Lopez, Xabier Garino, Claudio Mancin, Fabrizio Cortajarena, Aitziber L. Salassa, Luca <br \/>\r\nMancin, Fabrizio\/A-5746-2008; Lopez, Xabier\/G-5690-2015; Garino, Claudio\/AAT-2089-2021; Garino, Claudio\/B-5669-2014; Martinez-Martinez, Virginia\/L-5440-2013; Salassa, Luca\/M-7300-2014; Cortajarena, Aitziber\/J-6202-2012 <br \/>\r\nMancin, Fabrizio\/0000-0003-0786-0364; Lopez, Xabier\/0000-0002-2711-3588; Garino, Claudio\/0000-0002-7854-6076; Garino, Claudio\/0000-0002-7854-6076; Martinez-Martinez, Virginia\/0000-0001-7551-3714; Salassa, Luca\/0000-0002-2112-9095; REZABAL ASTIGARRAGA, ELIXABETE\/0000-0003-0397-6140; Gurruchaga-Pereda, Juan\/0009-0005-6646-7943; Cortajarena, Aitziber\/0000-0002-5331-114X},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('469','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_469\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000506725100022\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000506725100022\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000506725100022<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acscatal.9b02863\" title=\"Follow DOI:10.1021\/acscatal.9b02863\" target=\"_blank\">doi:10.1021\/acscatal.9b02863<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('469','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">150.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lachowicz, J. I.;  Torre, G. Dalla;  Cappai, R.;  Randaccio, E.;  Nurchi, V. M.;  Bachor, R.;  Szewczuk, Z.;  Jaremko, L.;  Jaremko, M.;  Pisano, M. B.;  Cosentino, S.;  Orru, G.;  Ibba, A.;  Mujika, J.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('523','tp_links')\" style=\"cursor:pointer;\">Metal self-assembly mimosine peptides with enhanced antimicrobial activity: towards a new generation of multitasking chelating agents<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Dalton Transactions, <\/span><span class=\"tp_pub_additional_volume\">vol. 49, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 2862-2879, <\/span><span class=\"tp_pub_additional_year\">2020<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1477-9226<\/span><span class=\"tp_pub_additional_note\">, (Lachowicz, Joanna Izabela Dalla Torre, Gabriele Cappai, Rosita Randaccio, Enrico Nurchi, Valeria M. Bachor, Remigiusz Szewczuk, Zbigniew Jaremko, Lukasz Jaremko, Mariusz Pisano, Maria Barbara Cosentino, Sofia Orru, Germano Ibba, Antonella Mujika, Joni Lopez, Xabier \r\nTorre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Jaremko, Lukasz\/A-3101-2009; Szewczuk, Zbigniew\/A-2243-2013; Jaremko, Lukasz\/GQB-5017-2022; lachowicz, joanna\/AAR-7338-2021; Bachor, Remigiusz\/AAD-8830-2019; Lachowicz, Joanna Izabela\/A-8687-2013; Nurchi, Valeria Marina\/E-6216-2013 \r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Jaremko, Lukasz\/0000-0001-7684-9359; Bachor, Remigiusz\/0000-0003-1247-8709; Jaremko, Mariusz\/0000-0002-0787-702X; Szewczuk, Zbigniew\/0000-0001-5884-9363; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Nurchi, Valeria Marina\/0000-0002-4004-1988; Poulson, Benjamin Gabriel\/0000-0001-8149-9023 \r\n1477-9234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_523\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('523','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_523\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('523','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_523\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN358,<br \/>\r\ntitle = {Metal self-assembly mimosine peptides with enhanced antimicrobial activity: towards a new generation of multitasking chelating agents},<br \/>\r\nauthor = {J. I. Lachowicz and G. Dalla Torre and R. Cappai and E. Randaccio and V. M. Nurchi and R. Bachor and Z. Szewczuk and L. Jaremko and M. Jaremko and M. B. Pisano and S. Cosentino and G. Orru and A. Ibba and J. Mujika and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000527534400011},<br \/>\r\ndoi = {10.1039\/c9dt04545g},<br \/>\r\nissn = {1477-9226},<br \/>\r\nyear  = {2020},<br \/>\r\ndate = {2020-01-01},<br \/>\r\njournal = {Dalton Transactions},<br \/>\r\nvolume = {49},<br \/>\r\nnumber = {9},<br \/>\r\npages = {2862-2879},<br \/>\r\nnote = {Lachowicz, Joanna Izabela Dalla Torre, Gabriele Cappai, Rosita Randaccio, Enrico Nurchi, Valeria M. Bachor, Remigiusz Szewczuk, Zbigniew Jaremko, Lukasz Jaremko, Mariusz Pisano, Maria Barbara Cosentino, Sofia Orru, Germano Ibba, Antonella Mujika, Joni Lopez, Xabier <br \/>\r\nTorre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Jaremko, Lukasz\/A-3101-2009; Szewczuk, Zbigniew\/A-2243-2013; Jaremko, Lukasz\/GQB-5017-2022; lachowicz, joanna\/AAR-7338-2021; Bachor, Remigiusz\/AAD-8830-2019; Lachowicz, Joanna Izabela\/A-8687-2013; Nurchi, Valeria Marina\/E-6216-2013 <br \/>\r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Jaremko, Lukasz\/0000-0001-7684-9359; Bachor, Remigiusz\/0000-0003-1247-8709; Jaremko, Mariusz\/0000-0002-0787-702X; Szewczuk, Zbigniew\/0000-0001-5884-9363; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Nurchi, Valeria Marina\/0000-0002-4004-1988; Poulson, Benjamin Gabriel\/0000-0001-8149-9023 <br \/>\r\n1477-9234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('523','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_523\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000527534400011\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000527534400011\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000527534400011<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c9dt04545g\" title=\"Follow DOI:10.1039\/c9dt04545g\" target=\"_blank\">doi:10.1039\/c9dt04545g<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('523','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">149.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Reilley, D. J.;  Fuller, J. T.;  Nechay, M. R.;  Victor, M.;  Li, W.;  Ruberry, J. D.;  Mujika, J. I.;  Lopez, X.;  Alexandrova, A. N.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('713','tp_links')\" style=\"cursor:pointer;\">Toxic and Physiological Metal Uptake and Release by Human Serum Transferrin<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Biophysical Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 118, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 2979-2988, <\/span><span class=\"tp_pub_additional_year\">2020<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0006-3495<\/span><span class=\"tp_pub_additional_note\">, (Reilley, David J. Fuller, Jack T. Nechay, Michael R. Victor, Marie Li, Wei Ruberry, Josiah D. Mujika, Jon, I Lopez, Xabier Alexandrova, Anastassia N. \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; Li, Wei\/0000-0002-2945-4845 \r\n1542-0086)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_713\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('713','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_713\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('713','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_713\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN357,<br \/>\r\ntitle = {Toxic and Physiological Metal Uptake and Release by Human Serum Transferrin},<br \/>\r\nauthor = {D. J. Reilley and J. T. Fuller and M. R. Nechay and M. Victor and W. Li and J. D. Ruberry and J. I. Mujika and X. Lopez and A. N. Alexandrova},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000541914500012},<br \/>\r\ndoi = {10.1016\/j.bpj.2020.05.006},<br \/>\r\nissn = {0006-3495},<br \/>\r\nyear  = {2020},<br \/>\r\ndate = {2020-01-01},<br \/>\r\njournal = {Biophysical Journal},<br \/>\r\nvolume = {118},<br \/>\r\nnumber = {12},<br \/>\r\npages = {2979-2988},<br \/>\r\nnote = {Reilley, David J. Fuller, Jack T. Nechay, Michael R. Victor, Marie Li, Wei Ruberry, Josiah D. Mujika, Jon, I Lopez, Xabier Alexandrova, Anastassia N. <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Li, Wei\/0000-0002-2945-4845 <br \/>\r\n1542-0086},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('713','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_713\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000541914500012\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000541914500012\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000541914500012<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.bpj.2020.05.006\" title=\"Follow DOI:10.1016\/j.bpj.2020.05.006\" target=\"_blank\">doi:10.1016\/j.bpj.2020.05.006<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('713','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2019\">2019<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">148.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Torre, G. Dalla;  Mujika, J. I.;  Lachowicz, J. I.;  Ramos, M. J.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('338','tp_links')\" style=\"cursor:pointer;\">The interaction of aluminum with catecholamine-based neurotransmitters: can the formation of these species be considered a potential risk factor for neurodegenerative diseases?<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Dalton Transactions, <\/span><span class=\"tp_pub_additional_volume\">vol. 48, <\/span><span class=\"tp_pub_additional_number\">no. 18, <\/span><span class=\"tp_pub_additional_pages\">pp. 6003-6018, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1477-9226<\/span><span class=\"tp_pub_additional_note\">, (Dalla Torre, Gabriele Mujika, Jon, I Izabela Lachowicz, Joanna Ramos, Maria J. Lopez, Xabier \r\nRamos, Maria J\/D-6183-2013; Torre, Gabriele Dalla\/O-8849-2019; lachowicz, joanna\/AAR-7338-2021; Torre, Gabriele Dalla\/T-3733-2017; Lopez, Xabier\/G-5690-2015; Lachowicz, Joanna Izabela\/A-8687-2013; Mujika, Jon\/H-7132-2012 \r\nRamos, Maria J\/0000-0002-7554-8324; Torre, Gabriele Dalla\/0000-0002-9652-9659; Torre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Mujika, Jon\/0000-0002-4584-7497 \r\n1477-9234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_338\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('338','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_338\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('338','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_338\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN361,<br \/>\r\ntitle = {The interaction of aluminum with catecholamine-based neurotransmitters: can the formation of these species be considered a potential risk factor for neurodegenerative diseases?},<br \/>\r\nauthor = {G. Dalla Torre and J. I. Mujika and J. I. Lachowicz and M. J. Ramos and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000472449300015},<br \/>\r\ndoi = {10.1039\/c8dt04216k},<br \/>\r\nissn = {1477-9226},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\njournal = {Dalton Transactions},<br \/>\r\nvolume = {48},<br \/>\r\nnumber = {18},<br \/>\r\npages = {6003-6018},<br \/>\r\nnote = {Dalla Torre, Gabriele Mujika, Jon, I Izabela Lachowicz, Joanna Ramos, Maria J. Lopez, Xabier <br \/>\r\nRamos, Maria J\/D-6183-2013; Torre, Gabriele Dalla\/O-8849-2019; lachowicz, joanna\/AAR-7338-2021; Torre, Gabriele Dalla\/T-3733-2017; Lopez, Xabier\/G-5690-2015; Lachowicz, Joanna Izabela\/A-8687-2013; Mujika, Jon\/H-7132-2012 <br \/>\r\nRamos, Maria J\/0000-0002-7554-8324; Torre, Gabriele Dalla\/0000-0002-9652-9659; Torre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1477-9234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('338','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_338\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000472449300015\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000472449300015\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000472449300015<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c8dt04216k\" title=\"Follow DOI:10.1039\/c8dt04216k\" target=\"_blank\">doi:10.1039\/c8dt04216k<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('338','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">147.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Exley, C.;  Guerriero, G.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('364','tp_links')\" style=\"cursor:pointer;\">Silicic acid: The omniscient molecule<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Science of the Total Environment, <\/span><span class=\"tp_pub_additional_volume\">vol. 665, <\/span><span class=\"tp_pub_additional_pages\">pp. 432-437, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0048-9697<\/span><span class=\"tp_pub_additional_note\">, (Exley, Christopher Guerriero, Gea Lopez, Xabier \r\nGuerriero, Gea\/B-4883-2013; Lopez, Xabier\/G-5690-2015 \r\nGuerriero, Gea\/0000-0001-6586-6997; Lopez, Xabier\/0000-0002-2711-3588; Exley, Christopher\/0000-0002-5116-7607 \r\n1879-1026)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_364\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('364','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_364\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('364','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_364\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN360,<br \/>\r\ntitle = {Silicic acid: The omniscient molecule},<br \/>\r\nauthor = {C. Exley and G. Guerriero and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000460628600044},<br \/>\r\ndoi = {10.1016\/j.scitotenv.2019.02.197},<br \/>\r\nissn = {0048-9697},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\njournal = {Science of the Total Environment},<br \/>\r\nvolume = {665},<br \/>\r\npages = {432-437},<br \/>\r\nnote = {Exley, Christopher Guerriero, Gea Lopez, Xabier <br \/>\r\nGuerriero, Gea\/B-4883-2013; Lopez, Xabier\/G-5690-2015 <br \/>\r\nGuerriero, Gea\/0000-0001-6586-6997; Lopez, Xabier\/0000-0002-2711-3588; Exley, Christopher\/0000-0002-5116-7607 <br \/>\r\n1879-1026},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('364','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_364\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000460628600044\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000460628600044\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000460628600044<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.scitotenv.2019.02.197\" title=\"Follow DOI:10.1016\/j.scitotenv.2019.02.197\" target=\"_blank\">doi:10.1016\/j.scitotenv.2019.02.197<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('364','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">146.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Formoso, E.;  Grande-Aztatzi, R.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('370','tp_links')\" style=\"cursor:pointer;\">Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserine<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 192, <\/span><span class=\"tp_pub_additional_pages\">pp. 33-44, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Formoso, Elena Grande-Aztatzi, Rafael Lopez, Xabier \r\nFormoso, Elena\/E-6834-2010; Grande-Aztatzi, Rafael\/G-4660-2015; Lopez, Xabier\/G-5690-2015 \r\nFormoso, Elena\/0000-0002-7106-3717; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Lopez, Xabier\/0000-0002-2711-3588 \r\n1873-3344)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_370\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('370','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_370\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('370','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_370\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN362,<br \/>\r\ntitle = {Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserine},<br \/>\r\nauthor = {E. Formoso and R. Grande-Aztatzi and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000458344000005},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2018.12.004},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {192},<br \/>\r\npages = {33-44},<br \/>\r\nnote = {Formoso, Elena Grande-Aztatzi, Rafael Lopez, Xabier <br \/>\r\nFormoso, Elena\/E-6834-2010; Grande-Aztatzi, Rafael\/G-4660-2015; Lopez, Xabier\/G-5690-2015 <br \/>\r\nFormoso, Elena\/0000-0002-7106-3717; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1873-3344},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('370','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_370\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000458344000005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000458344000005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000458344000005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2018.12.004\" title=\"Follow DOI:10.1016\/j.jinorgbio.2018.12.004\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2018.12.004<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('370','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">145.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Torre, G. Dalla;  Lachowicz, J. I.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('642','tp_links')\" style=\"cursor:pointer;\">In silico design of mimosine containing peptides as new efficient chelators of aluminum<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Rsc Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 9, <\/span><span class=\"tp_pub_additional_number\">no. 14, <\/span><span class=\"tp_pub_additional_pages\">pp. 7688-7697, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2046-2069<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J., I Dalla Torre, G. Lachowicz, J., I Lopez, X. \r\nTorre, Gabriele Dalla\/O-8849-2019; lachowicz, joanna\/AAR-7338-2021; Torre, Gabriele Dalla\/T-3733-2017; Lopez, Xabier\/G-5690-2015; Lachowicz, Joanna Izabela\/A-8687-2013; Mujika, Jon\/H-7132-2012 \r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Torre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Mujika, Jon\/0000-0002-4584-7497)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_642\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('642','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_642\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('642','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_642\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN363,<br \/>\r\ntitle = {In silico design of mimosine containing peptides as new efficient chelators of aluminum},<br \/>\r\nauthor = {J. I. Mujika and G. Dalla Torre and J. I. Lachowicz and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000462646000014},<br \/>\r\ndoi = {10.1039\/c8ra10139f},<br \/>\r\nissn = {2046-2069},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\njournal = {Rsc Advances},<br \/>\r\nvolume = {9},<br \/>\r\nnumber = {14},<br \/>\r\npages = {7688-7697},<br \/>\r\nnote = {Mujika, J., I Dalla Torre, G. Lachowicz, J., I Lopez, X. <br \/>\r\nTorre, Gabriele Dalla\/O-8849-2019; lachowicz, joanna\/AAR-7338-2021; Torre, Gabriele Dalla\/T-3733-2017; Lopez, Xabier\/G-5690-2015; Lachowicz, Joanna Izabela\/A-8687-2013; Mujika, Jon\/H-7132-2012 <br \/>\r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Torre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Lachowicz, Joanna Izabela\/0000-0003-4644-761X; Mujika, Jon\/0000-0002-4584-7497},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('642','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_642\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000462646000014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000462646000014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000462646000014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c8ra10139f\" title=\"Follow DOI:10.1039\/c8ra10139f\" target=\"_blank\">doi:10.1039\/c8ra10139f<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('642','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">144.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Rodriguez-Mayorga, M.;  Ramos-Cordoba, E.;  Lopez, X.;  Sola, M.;  Ugalde, J. M.;  Matito, E.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('723','tp_links')\" style=\"cursor:pointer;\">The Coulomb Hole of the Ne Atom<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemistryopen, <\/span><span class=\"tp_pub_additional_volume\">vol. 8, <\/span><span class=\"tp_pub_additional_number\">no. 4, <\/span><span class=\"tp_pub_additional_pages\">pp. 411-417, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2191-1363<\/span><span class=\"tp_pub_additional_note\">, (Rodriguez-Mayorga, Mauricio Ramos-Cordoba, Eloy Lopez, Xabier Sola, Miquel Ugalde, Jesus M. Matito, Eduard \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ramos-Cordoba, Eloy\/D-2830-2013; Rodriguez Mayorga, Mauricio\/AHB-2658-2022; Matito, Eduard\/A-6532-2009; Sol\u00e0, Miquel\/A-6155-2009 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ramos-Cordoba, Eloy\/0000-0002-6558-7821; Rodriguez Mayorga, Mauricio\/0000-0003-0869-9787; Matito, Eduard\/0000-0001-6895-4562; Sol\u00e0, Miquel\/0000-0002-1917-7450)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_723\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('723','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_723\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('723','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_723\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN16,<br \/>\r\ntitle = {The Coulomb Hole of the Ne Atom},<br \/>\r\nauthor = {M. Rodriguez-Mayorga and E. Ramos-Cordoba and X. Lopez and M. Sola and J. M. Ugalde and E. Matito},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000472717000004},<br \/>\r\ndoi = {10.1002\/open.201800235},<br \/>\r\nissn = {2191-1363},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\njournal = {Chemistryopen},<br \/>\r\nvolume = {8},<br \/>\r\nnumber = {4},<br \/>\r\npages = {411-417},<br \/>\r\nnote = {Rodriguez-Mayorga, Mauricio Ramos-Cordoba, Eloy Lopez, Xabier Sola, Miquel Ugalde, Jesus M. Matito, Eduard <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ramos-Cordoba, Eloy\/D-2830-2013; Rodriguez Mayorga, Mauricio\/AHB-2658-2022; Matito, Eduard\/A-6532-2009; Sol\u00e0, Miquel\/A-6155-2009 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ramos-Cordoba, Eloy\/0000-0002-6558-7821; Rodriguez Mayorga, Mauricio\/0000-0003-0869-9787; Matito, Eduard\/0000-0001-6895-4562; Sol\u00e0, Miquel\/0000-0002-1917-7450},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('723','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_723\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000472717000004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000472717000004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000472717000004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/open.201800235\" title=\"Follow DOI:10.1002\/open.201800235\" target=\"_blank\">doi:10.1002\/open.201800235<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('723','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">143.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Szlapa, E. N.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('770','tp_links')\" style=\"cursor:pointer;\">Methane activation by alternant N2O2 (center dot+) and N2S2 (center dot+) cluster radical cations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Mass Spectrometry, <\/span><span class=\"tp_pub_additional_volume\">vol. 438, <\/span><span class=\"tp_pub_additional_pages\">pp. 72-77, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1387-3806<\/span><span class=\"tp_pub_additional_note\">, (Szlapa, Ewa N. Lopez, Xabier Ugalde, Jesus M. \r\nLopez, Xabier\/G-5690-2015; Szlapa, Ewa\/W-3768-2019; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Szlapa, Ewa\/0000-0001-6866-7045; Ugalde, Jesus\/0000-0001-8980-9751 \r\n1873-2798)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_770\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('770','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_770\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('770','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_770\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN17,<br \/>\r\ntitle = {Methane activation by alternant N2O2 (center dot+) and N2S2 (center dot+) cluster radical cations},<br \/>\r\nauthor = {E. N. Szlapa and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000457635000009},<br \/>\r\ndoi = {10.1016\/j.ijms.2018.12.015},<br \/>\r\nissn = {1387-3806},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\njournal = {International Journal of Mass Spectrometry},<br \/>\r\nvolume = {438},<br \/>\r\npages = {72-77},<br \/>\r\nnote = {Szlapa, Ewa N. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Szlapa, Ewa\/W-3768-2019; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Szlapa, Ewa\/0000-0001-6866-7045; Ugalde, Jesus\/0000-0001-8980-9751 <br \/>\r\n1873-2798},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('770','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_770\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000457635000009\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000457635000009\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000457635000009<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.ijms.2018.12.015\" title=\"Follow DOI:10.1016\/j.ijms.2018.12.015\" target=\"_blank\">doi:10.1016\/j.ijms.2018.12.015<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('770','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">142.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Piris, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('562','tp_links')\" style=\"cursor:pointer;\">Performance of the NOF-MP2 method in hydrogen abstraction reactions<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Theoretical Chemistry Accounts, <\/span><span class=\"tp_pub_additional_volume\">vol. 138, <\/span><span class=\"tp_pub_additional_number\">no. 7, <\/span><span class=\"tp_pub_additional_year\">2019<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1432-881X<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Piris, Mario \r\nPiris, Mario\/E-7406-2010; Lopez, Xabier\/G-5690-2015 \r\nPiris, Mario\/0000-0003-0222-2953; Lopez, Xabier\/0000-0002-2711-3588 \r\n1432-2234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_562\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('562','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_562\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('562','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_562\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN296,<br \/>\r\ntitle = {Performance of the NOF-MP2 method in hydrogen abstraction reactions},<br \/>\r\nauthor = {X. Lopez and M. Piris},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000471069400001},<br \/>\r\ndoi = {10.1007\/s00214-019-2475-5},<br \/>\r\nissn = {1432-881X},<br \/>\r\nyear  = {2019},<br \/>\r\ndate = {2019-01-01},<br \/>\r\nurldate = {2019-01-01},<br \/>\r\njournal = {Theoretical Chemistry Accounts},<br \/>\r\nvolume = {138},<br \/>\r\nnumber = {7},<br \/>\r\nnote = {Lopez, Xabier Piris, Mario <br \/>\r\nPiris, Mario\/E-7406-2010; Lopez, Xabier\/G-5690-2015 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1432-2234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('562','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_562\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000471069400001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000471069400001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000471069400001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-019-2475-5\" title=\"Follow DOI:10.1007\/s00214-019-2475-5\" target=\"_blank\">doi:10.1007\/s00214-019-2475-5<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('562','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2018\">2018<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">141.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Torre, Gabriele Dalla;  Mujika, Jon I.;  Formoso, Elena;  Matito, Eduard;  Ramos, Maria J.;  Lopez, Xabier<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('991','tp_links')\" style=\"cursor:pointer;\">Tuning the affinity of catechols and salicylic acids towards Al(III): \r\n characterization of Al-chelator interactions<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">DALTON TRANSACTIONS, <\/span><span class=\"tp_pub_additional_volume\">vol. 47, <\/span><span class=\"tp_pub_additional_number\">no. 29, <\/span><span class=\"tp_pub_additional_pages\">pp. 9592-9607, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1477-9226<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_991\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('991','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_991\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('991','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_991\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:000444190500005,<br \/>\r\ntitle = {Tuning the affinity of catechols and salicylic acids towards Al(III): <br \/>\r\n characterization of Al-chelator interactions},<br \/>\r\nauthor = {Gabriele Dalla Torre and Jon I. Mujika and Elena Formoso and Eduard Matito and Maria J. Ramos and Xabier Lopez},<br \/>\r\ndoi = {10.1039\/c8dt01341a},<br \/>\r\nissn = {1477-9226},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-08-01},<br \/>\r\njournal = {DALTON TRANSACTIONS},<br \/>\r\nvolume = {47},<br \/>\r\nnumber = {29},<br \/>\r\npages = {9592-9607},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('991','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_991\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c8dt01341a\" title=\"Follow DOI:10.1039\/c8dt01341a\" target=\"_blank\">doi:10.1039\/c8dt01341a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('991','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">140.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Torre, G. Dalla;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('643','tp_links')\" style=\"cursor:pointer;\">Aluminum and Fenton reaction: how can the reaction be modulated by speciation? A computational study using citrate as a test case<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 20, <\/span><span class=\"tp_pub_additional_number\">no. 23, <\/span><span class=\"tp_pub_additional_pages\">pp. 16256-16265, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Dalla Torre, Gabriele Lopez, Xabier \r\nTorre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Torre, Gabriele Dalla\/T-3733-2017; Mujika, Jon\/H-7132-2012 \r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Torre, Gabriele Dalla\/0000-0002-9652-9659; Mujika, Jon\/0000-0002-4584-7497 \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_643\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('643','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_643\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('643','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_643\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN365,<br \/>\r\ntitle = {Aluminum and Fenton reaction: how can the reaction be modulated by speciation? A computational study using citrate as a test case},<br \/>\r\nauthor = {J. I. Mujika and G. Dalla Torre and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000439173700070},<br \/>\r\ndoi = {10.1039\/c8cp02962h},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {20},<br \/>\r\nnumber = {23},<br \/>\r\npages = {16256-16265},<br \/>\r\nnote = {Mujika, Jon I. Dalla Torre, Gabriele Lopez, Xabier <br \/>\r\nTorre, Gabriele Dalla\/O-8849-2019; Lopez, Xabier\/G-5690-2015; Torre, Gabriele Dalla\/T-3733-2017; Mujika, Jon\/H-7132-2012 <br \/>\r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Lopez, Xabier\/0000-0002-2711-3588; Torre, Gabriele Dalla\/0000-0002-9652-9659; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('643','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_643\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000439173700070\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000439173700070\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000439173700070<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c8cp02962h\" title=\"Follow DOI:10.1039\/c8cp02962h\" target=\"_blank\">doi:10.1039\/c8cp02962h<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('643','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">139.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Torre, G. D.;  Formoso, E.;  Grande-Aztatzi, R.;  Grabowski, S. J.;  Exley, C.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('653','tp_links')\" style=\"cursor:pointer;\">Aluminum's preferential binding site in proteins: sidechain of amino acids versus backbone interactions<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 181, <\/span><span class=\"tp_pub_additional_pages\">pp. 111-116, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Dalla Torre, Gabriele Formoso, Elena Grande-Aztatzi, Rafael Grabowski, Slawomir J. Exley, Christopher Lopez, Xabier \r\n12th Keele Meeting on Aluminium (Keele) - Living in the Aluminium Age \r\nMar 04-08, 2017 \r\nVancouver, CANADA \r\nTorre, Gabriele Dalla\/T-3733-2017; Grande-Aztatzi, Rafael\/G-4660-2015; Grabowski, Slawomir J\/N-3119-2014; Formoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015; Torre, Gabriele Dalla\/O-8849-2019; Mujika, Jon\/H-7132-2012 \r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Formoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588; Torre, Gabriele Dalla\/0000-0002-9652-9659; Exley, Christopher\/0000-0002-5116-7607; Mujika, Jon\/0000-0002-4584-7497 \r\n1873-3344)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_653\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('653','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_653\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('653','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_653\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN366,<br \/>\r\ntitle = {Aluminum's preferential binding site in proteins: sidechain of amino acids versus backbone interactions},<br \/>\r\nauthor = {J. I. Mujika and G. D. Torre and E. Formoso and R. Grande-Aztatzi and S. J. Grabowski and C. Exley and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000428599900013},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2017.10.014},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {181},<br \/>\r\npages = {111-116},<br \/>\r\nnote = {Mujika, Jon I. Dalla Torre, Gabriele Formoso, Elena Grande-Aztatzi, Rafael Grabowski, Slawomir J. Exley, Christopher Lopez, Xabier <br \/>\r\n12th Keele Meeting on Aluminium (Keele) - Living in the Aluminium Age <br \/>\r\nMar 04-08, 2017 <br \/>\r\nVancouver, CANADA <br \/>\r\nTorre, Gabriele Dalla\/T-3733-2017; Grande-Aztatzi, Rafael\/G-4660-2015; Grabowski, Slawomir J\/N-3119-2014; Formoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015; Torre, Gabriele Dalla\/O-8849-2019; Mujika, Jon\/H-7132-2012 <br \/>\r\nTorre, Gabriele Dalla\/0000-0002-9652-9659; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Formoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588; Torre, Gabriele Dalla\/0000-0002-9652-9659; Exley, Christopher\/0000-0002-5116-7607; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1873-3344},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('653','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_653\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000428599900013\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000428599900013\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000428599900013<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2017.10.014\" title=\"Follow DOI:10.1016\/j.jinorgbio.2017.10.014\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2017.10.014<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('653','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">138.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Rodriguez-Mayorga, M.;  Via-Nadal, M.;  Sola, M.;  Ugalde, J. M.;  Lopez, X.;  Matito, E.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('725','tp_links')\" style=\"cursor:pointer;\">Electron-Pair Distribution in Chemical Bond Formation<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 122, <\/span><span class=\"tp_pub_additional_number\">no. 7, <\/span><span class=\"tp_pub_additional_pages\">pp. 1916-+, <\/span><span class=\"tp_pub_additional_year\">2018<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Rodriguez-Mayorga, M. Via-Nadal, M. Sola, M. Ugalde, J. M. Lopez, X. Matito, E. \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Sol\u00e0, Miquel\/A-6155-2009; Matito, Eduard\/A-6532-2009; Rodriguez Mayorga, Mauricio\/AHB-2658-2022 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Sol\u00e0, Miquel\/0000-0002-1917-7450; Matito, Eduard\/0000-0001-6895-4562; Rodriguez Mayorga, Mauricio\/0000-0003-0869-9787 \r\n1520-5215)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_725\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('725','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_725\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('725','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_725\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN113,<br \/>\r\ntitle = {Electron-Pair Distribution in Chemical Bond Formation},<br \/>\r\nauthor = {M. Rodriguez-Mayorga and M. Via-Nadal and M. Sola and J. M. Ugalde and X. Lopez and E. Matito},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000426221000010},<br \/>\r\ndoi = {10.1021\/acs.jpca.7b12556},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {2018},<br \/>\r\ndate = {2018-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {122},<br \/>\r\nnumber = {7},<br \/>\r\npages = {1916-+},<br \/>\r\nnote = {Rodriguez-Mayorga, M. Via-Nadal, M. Sola, M. Ugalde, J. M. Lopez, X. Matito, E. <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Sol\u00e0, Miquel\/A-6155-2009; Matito, Eduard\/A-6532-2009; Rodriguez Mayorga, Mauricio\/AHB-2658-2022 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Sol\u00e0, Miquel\/0000-0002-1917-7450; Matito, Eduard\/0000-0001-6895-4562; Rodriguez Mayorga, Mauricio\/0000-0003-0869-9787 <br \/>\r\n1520-5215},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('725','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_725\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000426221000010\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000426221000010\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000426221000010<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpca.7b12556\" title=\"Follow DOI:10.1021\/acs.jpca.7b12556\" target=\"_blank\">doi:10.1021\/acs.jpca.7b12556<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('725','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2017\">2017<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">137.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Uranga, Jon;  Matxain, Jon M.;  Lopez, Xabier;  Ugalde, Jesus M.;  Casanova, David<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1239','tp_links')\" style=\"cursor:pointer;\">Photosensitization mechanism of Cu(II) porphyrinst<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">PHYSICAL CHEMISTRY CHEMICAL PHYSICS, <\/span><span class=\"tp_pub_additional_volume\">vol. 19, <\/span><span class=\"tp_pub_additional_number\">no. 31, <\/span><span class=\"tp_pub_additional_pages\">pp. 20533-20540, <\/span><span class=\"tp_pub_additional_year\">2017<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_1239\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1239','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1239\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1239','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1239\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:000407763700023,<br \/>\r\ntitle = {Photosensitization mechanism of Cu(II) porphyrinst},<br \/>\r\nauthor = {Jon Uranga and Jon M. Matxain and Xabier Lopez and Jesus M. Ugalde and David Casanova},<br \/>\r\ndoi = {10.1039\/c7cp03319b},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2017},<br \/>\r\ndate = {2017-08-01},<br \/>\r\njournal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},<br \/>\r\nvolume = {19},<br \/>\r\nnumber = {31},<br \/>\r\npages = {20533-20540},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1239','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1239\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c7cp03319b\" title=\"Follow DOI:10.1039\/c7cp03319b\" target=\"_blank\">doi:10.1039\/c7cp03319b<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1239','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">136.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Castro, S. Alonso-de;  Ruggiero, E.;  Ruiz-de-Angulo, A.;  Rezabal, E.;  Mareque-Rivas, J. C.;  Lopez, X.;  Lopez-Gallego, F.;  Salassa, L.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('293','tp_links')\" style=\"cursor:pointer;\">Riboflavin as a bioorthogonal photocatalyst for the activation of a Pt-IV prodrug<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemical Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 8, <\/span><span class=\"tp_pub_additional_number\">no. 6, <\/span><span class=\"tp_pub_additional_pages\">pp. 4619-4625, <\/span><span class=\"tp_pub_additional_year\">2017<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2041-6520<\/span><span class=\"tp_pub_additional_note\">, (Alonso-de Castro, Silvia Ruggiero, Emmanuel Ruiz-de-Angulo, Ane Rezabal, Elixabete Mareque-Rivas, Juan C. Lopez, Xabier Lopez-Gallego, Fernando Salassa, Luca \r\nCastro, Silvia Alonso-de\/AAA-5260-2020; Salassa, Luca\/M-7300-2014; Rivas, Juan Mareque\/M-6171-2014; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Lopez, Xabier\/G-5690-2015; de Angulo, Ane Ruiz\/I-3867-2016; Gallego, Fernando L\u00f3pez\/D-3462-2014; biomaGUNE, CIC\/J-9136-2014 \r\nSalassa, Luca\/0000-0002-2112-9095; Rivas, Juan Mareque\/0000-0002-7405-3338; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Lopez, Xabier\/0000-0002-2711-3588; de Angulo, Ane Ruiz\/0000-0001-6581-4038; Gallego, Fernando L\u00f3pez\/0000-0003-0031-1880; Alonso-de Castro, Silvia\/0000-0001-5261-8839; biomaGUNE, CIC\/0000-0001-7690-0660 \r\n2041-6539)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_293\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('293','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_293\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('293','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_293\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN368,<br \/>\r\ntitle = {Riboflavin as a bioorthogonal photocatalyst for the activation of a Pt-IV prodrug},<br \/>\r\nauthor = {S. Alonso-de Castro and E. Ruggiero and A. Ruiz-de-Angulo and E. Rezabal and J. C. Mareque-Rivas and X. Lopez and F. Lopez-Gallego and L. Salassa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000402384900055},<br \/>\r\ndoi = {10.1039\/c7sc01109a},<br \/>\r\nissn = {2041-6520},<br \/>\r\nyear  = {2017},<br \/>\r\ndate = {2017-01-01},<br \/>\r\njournal = {Chemical Science},<br \/>\r\nvolume = {8},<br \/>\r\nnumber = {6},<br \/>\r\npages = {4619-4625},<br \/>\r\nnote = {Alonso-de Castro, Silvia Ruggiero, Emmanuel Ruiz-de-Angulo, Ane Rezabal, Elixabete Mareque-Rivas, Juan C. Lopez, Xabier Lopez-Gallego, Fernando Salassa, Luca <br \/>\r\nCastro, Silvia Alonso-de\/AAA-5260-2020; Salassa, Luca\/M-7300-2014; Rivas, Juan Mareque\/M-6171-2014; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Lopez, Xabier\/G-5690-2015; de Angulo, Ane Ruiz\/I-3867-2016; Gallego, Fernando L\u00f3pez\/D-3462-2014; biomaGUNE, CIC\/J-9136-2014 <br \/>\r\nSalassa, Luca\/0000-0002-2112-9095; Rivas, Juan Mareque\/0000-0002-7405-3338; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Lopez, Xabier\/0000-0002-2711-3588; de Angulo, Ane Ruiz\/0000-0001-6581-4038; Gallego, Fernando L\u00f3pez\/0000-0003-0031-1880; Alonso-de Castro, Silvia\/0000-0001-5261-8839; biomaGUNE, CIC\/0000-0001-7690-0660 <br \/>\r\n2041-6539},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('293','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_293\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000402384900055\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000402384900055\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000402384900055<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c7sc01109a\" title=\"Follow DOI:10.1039\/c7sc01109a\" target=\"_blank\">doi:10.1039\/c7sc01109a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('293','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">135.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Formoso, E.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('372','tp_links')\" style=\"cursor:pointer;\">A computational study on interaction of aluminum with D-glucose 6-phosphate for various stoichiometries<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Rsc Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 7, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 6064-6079, <\/span><span class=\"tp_pub_additional_year\">2017<\/span><span class=\"tp_pub_additional_note\">, (Formoso, Elena Lopez, Xabier \r\nLopez, Xabier\/G-5690-2015; Formoso, Elena\/E-6834-2010 \r\nLopez, Xabier\/0000-0002-2711-3588; Formoso, Elena\/0000-0002-7106-3717 \r\n2046-2069)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_372\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('372','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_372\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('372','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_372\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN369,<br \/>\r\ntitle = {A computational study on interaction of aluminum with D-glucose 6-phosphate for various stoichiometries},<br \/>\r\nauthor = {E. Formoso and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000393754100063},<br \/>\r\ndoi = {10.1039\/c6ra27037a},<br \/>\r\nyear  = {2017},<br \/>\r\ndate = {2017-01-01},<br \/>\r\njournal = {Rsc Advances},<br \/>\r\nvolume = {7},<br \/>\r\nnumber = {10},<br \/>\r\npages = {6064-6079},<br \/>\r\nnote = {Formoso, Elena Lopez, Xabier <br \/>\r\nLopez, Xabier\/G-5690-2015; Formoso, Elena\/E-6834-2010 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Formoso, Elena\/0000-0002-7106-3717 <br \/>\r\n2046-2069},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('372','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_372\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000393754100063\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000393754100063\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000393754100063<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c6ra27037a\" title=\"Follow DOI:10.1039\/c6ra27037a\" target=\"_blank\">doi:10.1039\/c6ra27037a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('372','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">134.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('645','tp_links')\" style=\"cursor:pointer;\">Unveiling the Catalytic Role of B-Block Histidine in the N-S Acyl Shift Step of Protein Splicing<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 121, <\/span><span class=\"tp_pub_additional_number\">no. 33, <\/span><span class=\"tp_pub_additional_pages\">pp. 7786-7796, <\/span><span class=\"tp_pub_additional_year\">2017<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J. I. Lopez, X. \r\nLopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 \r\nLopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_645\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('645','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_645\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('645','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_645\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN367,<br \/>\r\ntitle = {Unveiling the Catalytic Role of B-Block Histidine in the N-S Acyl Shift Step of Protein Splicing},<br \/>\r\nauthor = {J. I. Mujika and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000408598300006},<br \/>\r\ndoi = {10.1021\/acs.jpcb.7b04276},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2017},<br \/>\r\ndate = {2017-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {121},<br \/>\r\nnumber = {33},<br \/>\r\npages = {7786-7796},<br \/>\r\nnote = {Mujika, J. I. Lopez, X. <br \/>\r\nLopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('645','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_645\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000408598300006\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000408598300006\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000408598300006<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpcb.7b04276\" title=\"Follow DOI:10.1021\/acs.jpcb.7b04276\" target=\"_blank\">doi:10.1021\/acs.jpcb.7b04276<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('645','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">133.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Pedregal, J. R. G.;  Lopez, X.;  Ugalde, J. M.;  Rodriguez-Santiago, L.;  Sodupe, M.;  Marechal, J. D.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('651','tp_links')\" style=\"cursor:pointer;\">Elucidating the 3D structures of Al(III)-A beta complexes: a template free strategy based on the pre-organization hypothesis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemical Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 8, <\/span><span class=\"tp_pub_additional_number\">no. 7, <\/span><span class=\"tp_pub_additional_pages\">pp. 5041-5049, <\/span><span class=\"tp_pub_additional_year\">2017<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2041-6520<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Rodriguez-Guerra Pedregal, Jaime Lopez, Xabier Ugalde, Jesus M. Rodriguez-Santiago, Luis Sodupe, Mariona Marechal, Jean-Didier \r\nLopez, Xabier\/G-5690-2015; Sodupe, Mariona\/E-9352-2013; Rodriguez-Santiago, Luis\/K-7029-2013; Mar\u00e9chal, Jean-Didier P\/A-8936-2012; Ugalde, Jesus\/M-2771-2014; Pedregal, Jaime Rodr\u00edguez-Guerra\/J-3127-2019; Mujika, Jon\/H-7132-2012 \r\nLopez, Xabier\/0000-0002-2711-3588; Sodupe, Mariona\/0000-0003-0276-0524; Rodriguez-Santiago, Luis\/0000-0003-4983-4228; Mar\u00e9chal, Jean-Didier P\/0000-0002-8344-9043; Ugalde, Jesus\/0000-0001-8980-9751; Pedregal, Jaime Rodr\u00edguez-Guerra\/0000-0001-8974-1566; Mujika, Jon\/0000-0002-4584-7497 \r\n2041-6539)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_651\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('651','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_651\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('651','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_651\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN23,<br \/>\r\ntitle = {Elucidating the 3D structures of Al(III)-A beta complexes: a template free strategy based on the pre-organization hypothesis},<br \/>\r\nauthor = {J. I. Mujika and J. R. G. Pedregal and X. Lopez and J. M. Ugalde and L. Rodriguez-Santiago and M. Sodupe and J. D. Marechal},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000404617300040},<br \/>\r\ndoi = {10.1039\/c7sc01296a},<br \/>\r\nissn = {2041-6520},<br \/>\r\nyear  = {2017},<br \/>\r\ndate = {2017-01-01},<br \/>\r\njournal = {Chemical Science},<br \/>\r\nvolume = {8},<br \/>\r\nnumber = {7},<br \/>\r\npages = {5041-5049},<br \/>\r\nnote = {Mujika, Jon I. Rodriguez-Guerra Pedregal, Jaime Lopez, Xabier Ugalde, Jesus M. Rodriguez-Santiago, Luis Sodupe, Mariona Marechal, Jean-Didier <br \/>\r\nLopez, Xabier\/G-5690-2015; Sodupe, Mariona\/E-9352-2013; Rodriguez-Santiago, Luis\/K-7029-2013; Mar\u00e9chal, Jean-Didier P\/A-8936-2012; Ugalde, Jesus\/M-2771-2014; Pedregal, Jaime Rodr\u00edguez-Guerra\/J-3127-2019; Mujika, Jon\/H-7132-2012 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Sodupe, Mariona\/0000-0003-0276-0524; Rodriguez-Santiago, Luis\/0000-0003-4983-4228; Mar\u00e9chal, Jean-Didier P\/0000-0002-8344-9043; Ugalde, Jesus\/0000-0001-8980-9751; Pedregal, Jaime Rodr\u00edguez-Guerra\/0000-0001-8974-1566; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n2041-6539},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('651','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_651\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000404617300040\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000404617300040\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000404617300040<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c7sc01296a\" title=\"Follow DOI:10.1039\/c7sc01296a\" target=\"_blank\">doi:10.1039\/c7sc01296a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('651','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2016\">2016<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">132.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Rodriguez-Mayorga, M.;  Matito, E.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1118','tp_links')\" style=\"cursor:pointer;\">The electron-pair density distribution of the \r\n 1,3\u03a0u excited states of H2<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">CANADIAN JOURNAL OF CHEMISTRY, <\/span><span class=\"tp_pub_additional_volume\">vol. 94, <\/span><span class=\"tp_pub_additional_number\">no. 12, SI, <\/span><span class=\"tp_pub_additional_pages\">pp. 998-1001, <\/span><span class=\"tp_pub_additional_year\">2016<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0008-4042<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_1118\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1118','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1118\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1118','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1118\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:000390320300003,<br \/>\r\ntitle = {The electron-pair density distribution of the <br \/>\r\n 1,3\u03a0u excited states of H2},<br \/>\r\nauthor = {J. M. Mercero and M. Rodriguez-Mayorga and E. Matito and X. Lopez and J. M. Ugalde},<br \/>\r\ndoi = {10.1139\/cjc-2016-0203},<br \/>\r\nissn = {0008-4042},<br \/>\r\nyear  = {2016},<br \/>\r\ndate = {2016-12-01},<br \/>\r\njournal = {CANADIAN JOURNAL OF CHEMISTRY},<br \/>\r\nvolume = {94},<br \/>\r\nnumber = {12, SI},<br \/>\r\npages = {998-1001},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1118','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1118\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1139\/cjc-2016-0203\" title=\"Follow DOI:10.1139\/cjc-2016-0203\" target=\"_blank\">doi:10.1139\/cjc-2016-0203<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1118','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">131.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matito, E.;  Casanova, D.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1120','tp_links')\" style=\"cursor:pointer;\">Exact exchange-correlation functional for the infinitely stretched \r\n hydrogen molecule<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">THEORETICAL CHEMISTRY ACCOUNTS, <\/span><span class=\"tp_pub_additional_volume\">vol. 135, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_year\">2016<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1432-881X<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_1120\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1120','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1120\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1120','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1120\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:000382131900001,<br \/>\r\ntitle = {Exact exchange-correlation functional for the infinitely stretched <br \/>\r\n hydrogen molecule},<br \/>\r\nauthor = {E. Matito and D. Casanova and X. Lopez and J. M. Ugalde},<br \/>\r\ndoi = {10.1007\/s00214-016-1982-x},<br \/>\r\nissn = {1432-881X},<br \/>\r\nyear  = {2016},<br \/>\r\ndate = {2016-08-01},<br \/>\r\njournal = {THEORETICAL CHEMISTRY ACCOUNTS},<br \/>\r\nvolume = {135},<br \/>\r\nnumber = {9},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1120','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1120\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-016-1982-x\" title=\"Follow DOI:10.1007\/s00214-016-1982-x\" target=\"_blank\">doi:10.1007\/s00214-016-1982-x<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1120','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">130.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Beardmore, J.;  Lopez, X.;  Mujika, J. I.;  Exley, C.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('319','tp_links')\" style=\"cursor:pointer;\">What is the mechanism of formation of hydroxyaluminosilicates?<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Scientific Reports, <\/span><span class=\"tp_pub_additional_volume\">vol. 6, <\/span><span class=\"tp_pub_additional_year\">2016<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2045-2322<\/span><span class=\"tp_pub_additional_note\">, (Beardmore, James Lopez, Xabier Mujika, Jon I. Exley, Christopher \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; Exley, Christopher\/0000-0002-5116-7607)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_319\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('319','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_319\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('319','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_319\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN370,<br \/>\r\ntitle = {What is the mechanism of formation of hydroxyaluminosilicates?},<br \/>\r\nauthor = {J. Beardmore and X. Lopez and J. I. Mujika and C. Exley},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000381047800001},<br \/>\r\ndoi = {10.1038\/srep30913},<br \/>\r\nissn = {2045-2322},<br \/>\r\nyear  = {2016},<br \/>\r\ndate = {2016-01-01},<br \/>\r\njournal = {Scientific Reports},<br \/>\r\nvolume = {6},<br \/>\r\nnote = {Beardmore, James Lopez, Xabier Mujika, Jon I. Exley, Christopher <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Exley, Christopher\/0000-0002-5116-7607},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('319','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_319\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000381047800001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000381047800001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000381047800001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1038\/srep30913\" title=\"Follow DOI:10.1038\/srep30913\" target=\"_blank\">doi:10.1038\/srep30913<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('319','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">129.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Garcia-Arribas, A. B.;  Axpe, E.;  Mujika, J. I.;  Merida, D.;  Busto, J. V.;  Sot, J.;  Alonso, A.;  Lopez, X.;  Garcia, J. A.;  Ugalde, J. M.;  Plazaola, F.;  Goni, F. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('392','tp_links')\" style=\"cursor:pointer;\">Cholesterol-Ceramide Interactions in Phospholipid and Sphingolipid Bilayers As Observed by Positron Annihilation Lifetime Spectroscopy and Molecular Dynamics Simulations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Langmuir, <\/span><span class=\"tp_pub_additional_volume\">vol. 32, <\/span><span class=\"tp_pub_additional_number\">no. 21, <\/span><span class=\"tp_pub_additional_pages\">pp. 5434-5444, <\/span><span class=\"tp_pub_additional_year\">2016<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0743-7463<\/span><span class=\"tp_pub_additional_note\">, (Garcia-Arribas, Aritz B. Axpe, Eneko Inaki Mujika, Jon Merida, David Busto, Jon V. Sot, Jesus Alonso, Alicia Lopez, Xabier Angel Garcia, Jose Ugalde, Jesus M. Plazaola, Fernando Goni, Felix M. \r\nGoni, Felix M\/M-5425-2015; Alonso, Alicia\/E-5310-2012; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nGoni, Felix M\/0000-0001-6270-9216; Alonso, Alicia\/0000-0002-2730-7470; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Plazaola Muguruza, Fernando\/0000-0002-0081-8131; Sot, Jesus\/0000-0001-9508-6596; Axpe, Eneko\/0000-0002-9114-5306; Garcia Arribas, Aritz\/0000-0003-1866-6647)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_392\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('392','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_392\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('392','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_392\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN33,<br \/>\r\ntitle = {Cholesterol-Ceramide Interactions in Phospholipid and Sphingolipid Bilayers As Observed by Positron Annihilation Lifetime Spectroscopy and Molecular Dynamics Simulations},<br \/>\r\nauthor = {A. B. Garcia-Arribas and E. Axpe and J. I. Mujika and D. Merida and J. V. Busto and J. Sot and A. Alonso and X. Lopez and J. A. Garcia and J. M. Ugalde and F. Plazaola and F. M. Goni},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000377151300025},<br \/>\r\ndoi = {10.1021\/acs.langmuir.6b00927},<br \/>\r\nissn = {0743-7463},<br \/>\r\nyear  = {2016},<br \/>\r\ndate = {2016-01-01},<br \/>\r\njournal = {Langmuir},<br \/>\r\nvolume = {32},<br \/>\r\nnumber = {21},<br \/>\r\npages = {5434-5444},<br \/>\r\nnote = {Garcia-Arribas, Aritz B. Axpe, Eneko Inaki Mujika, Jon Merida, David Busto, Jon V. Sot, Jesus Alonso, Alicia Lopez, Xabier Angel Garcia, Jose Ugalde, Jesus M. Plazaola, Fernando Goni, Felix M. <br \/>\r\nGoni, Felix M\/M-5425-2015; Alonso, Alicia\/E-5310-2012; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nGoni, Felix M\/0000-0001-6270-9216; Alonso, Alicia\/0000-0002-2730-7470; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Plazaola Muguruza, Fernando\/0000-0002-0081-8131; Sot, Jesus\/0000-0001-9508-6596; Axpe, Eneko\/0000-0002-9114-5306; Garcia Arribas, Aritz\/0000-0003-1866-6647},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('392','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_392\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000377151300025\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000377151300025\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000377151300025<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.langmuir.6b00927\" title=\"Follow DOI:10.1021\/acs.langmuir.6b00927\" target=\"_blank\">doi:10.1021\/acs.langmuir.6b00927<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('392','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">128.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Grande-Aztatzi, R.;  Formoso, E.;  Mujika, J. I.;  Ugalde, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('465','tp_links')\" style=\"cursor:pointer;\">Phosphorylation promotes Al(III) binding to proteins: GEGEGSGG as a case study<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 18, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 7197-7207, <\/span><span class=\"tp_pub_additional_year\">2016<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Grande-Aztatzi, Rafael Formoso, Elena Mujika, Jon I. Ugalde, Jesus M. Lopez, Xabier \r\nFormoso, Elena\/E-6834-2010; Grande-Aztatzi, Rafael\/G-4660-2015; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 \r\nFormoso, Elena\/0000-0002-7106-3717; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_465\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('465','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_465\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('465','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_465\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN36,<br \/>\r\ntitle = {Phosphorylation promotes Al(III) binding to proteins: GEGEGSGG as a case study},<br \/>\r\nauthor = {R. Grande-Aztatzi and E. Formoso and J. I. Mujika and J. M. Ugalde and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000371608600028},<br \/>\r\ndoi = {10.1039\/c5cp06379e},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2016},<br \/>\r\ndate = {2016-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {18},<br \/>\r\nnumber = {10},<br \/>\r\npages = {7197-7207},<br \/>\r\nnote = {Grande-Aztatzi, Rafael Formoso, Elena Mujika, Jon I. Ugalde, Jesus M. Lopez, Xabier <br \/>\r\nFormoso, Elena\/E-6834-2010; Grande-Aztatzi, Rafael\/G-4660-2015; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 <br \/>\r\nFormoso, Elena\/0000-0002-7106-3717; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('465','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_465\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000371608600028\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000371608600028\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000371608600028<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c5cp06379e\" title=\"Follow DOI:10.1039\/c5cp06379e\" target=\"_blank\">doi:10.1039\/c5cp06379e<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('465','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">127.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('683','tp_links')\" style=\"cursor:pointer;\">The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional Perspective<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemistry-a European Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 22, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 4109-4115, <\/span><span class=\"tp_pub_additional_year\">2016<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0947-6539<\/span><span class=\"tp_pub_additional_note\">, (Piris, Mario Lopez, Xabier Ugalde, Jesus M. \r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1521-3765)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_683\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('683','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_683\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('683','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_683\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN37,<br \/>\r\ntitle = {The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional Perspective},<br \/>\r\nauthor = {M. Piris and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000372526500028},<br \/>\r\ndoi = {10.1002\/chem.201504491},<br \/>\r\nissn = {0947-6539},<br \/>\r\nyear  = {2016},<br \/>\r\ndate = {2016-01-01},<br \/>\r\nurldate = {2016-01-01},<br \/>\r\njournal = {Chemistry-a European Journal},<br \/>\r\nvolume = {22},<br \/>\r\nnumber = {12},<br \/>\r\npages = {4109-4115},<br \/>\r\nnote = {Piris, Mario Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1521-3765},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('683','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_683\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000372526500028\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000372526500028\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000372526500028<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/chem.201504491\" title=\"Follow DOI:10.1002\/chem.201504491\" target=\"_blank\">doi:10.1002\/chem.201504491<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('683','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2015\">2015<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">126.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ramos-Cordoba, Eloy;  Lopez, Xabier;  Piris, Mario;  Matito, Eduard<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1114','tp_links')\" style=\"cursor:pointer;\">H4: A challenging system for natural orbital functional  approximations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">JOURNAL OF CHEMICAL PHYSICS, <\/span><span class=\"tp_pub_additional_volume\">vol. 143, <\/span><span class=\"tp_pub_additional_number\">no. 16, <\/span><span class=\"tp_pub_additional_year\">2015<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_1114\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1114','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1114\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1114','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1114\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:000364235800012,<br \/>\r\ntitle = {H4: A challenging system for natural orbital functional  approximations},<br \/>\r\nauthor = {Eloy Ramos-Cordoba and Xabier Lopez and Mario Piris and Eduard Matito},<br \/>\r\ndoi = {10.1063\/1.4934799},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2015},<br \/>\r\ndate = {2015-10-01},<br \/>\r\nurldate = {2015-10-01},<br \/>\r\njournal = {JOURNAL OF CHEMICAL PHYSICS},<br \/>\r\nvolume = {143},<br \/>\r\nnumber = {16},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1114','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1114\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.4934799\" title=\"Follow DOI:10.1063\/1.4934799\" target=\"_blank\">doi:10.1063\/1.4934799<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1114','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">125.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, Jose M.;  Matito, Eduard;  Ruiperez, Fernando;  Infante, Ivan;  Lopez, Xabier;  Ugalde, Jesus M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1115','tp_links')\" style=\"cursor:pointer;\">The Electronic Structure of the Al3- Anion: Is it \r\n Aromatic?<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">CHEMISTRY-A EUROPEAN JOURNAL, <\/span><span class=\"tp_pub_additional_volume\">vol. 21, <\/span><span class=\"tp_pub_additional_number\">no. 27, <\/span><span class=\"tp_pub_additional_pages\">pp. 9610-9614, <\/span><span class=\"tp_pub_additional_year\">2015<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0947-6539<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_1115\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1115','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1115\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1115','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1115\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:000357027300003,<br \/>\r\ntitle = {The Electronic Structure of the Al3- Anion: Is it <br \/>\r\n Aromatic?},<br \/>\r\nauthor = {Jose M. Mercero and Eduard Matito and Fernando Ruiperez and Ivan Infante and Xabier Lopez and Jesus M. Ugalde},<br \/>\r\ndoi = {10.1002\/chem.201501350},<br \/>\r\nissn = {0947-6539},<br \/>\r\nyear  = {2015},<br \/>\r\ndate = {2015-06-01},<br \/>\r\njournal = {CHEMISTRY-A EUROPEAN JOURNAL},<br \/>\r\nvolume = {21},<br \/>\r\nnumber = {27},<br \/>\r\npages = {9610-9614},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1115','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1115\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/chem.201501350\" title=\"Follow DOI:10.1002\/chem.201501350\" target=\"_blank\">doi:10.1002\/chem.201501350<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1115','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">124.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Axpe, E.;  Garcia-Arribas, A. B.;  Mujika, J. I.;  Merida, D.;  Alonso, A.;  Lopez, X.;  Garcia, J. A.;  Ugalde, J. M.;  Goni, F. M.;  Plazaola, F.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('304','tp_links')\" style=\"cursor:pointer;\">Ceramide increases free volume voids in DPPC membranes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Rsc Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 5, <\/span><span class=\"tp_pub_additional_number\">no. 55, <\/span><span class=\"tp_pub_additional_pages\">pp. 44282-44290, <\/span><span class=\"tp_pub_additional_year\">2015<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2046-2069<\/span><span class=\"tp_pub_additional_note\">, (Axpe, E. Garcia-Arribas, A. B. Mujika, J. I. Merida, D. Alonso, A. Lopez, X. Garcia, J. A. Ugalde, J. M. Goni, F. M. Plazaola, F. \r\nAlonso, Alicia\/E-5310-2012; Lopez, Xabier\/G-5690-2015; Goni, Felix M\/M-5425-2015; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014 \r\nAlonso, Alicia\/0000-0002-2730-7470; Lopez, Xabier\/0000-0002-2711-3588; Goni, Felix M\/0000-0001-6270-9216; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Garcia Arribas, Aritz\/0000-0003-1866-6647; Plazaola Muguruza, Fernando\/0000-0002-0081-8131; Axpe, Eneko\/0000-0002-9114-5306)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_304\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('304','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_304\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('304','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_304\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN117,<br \/>\r\ntitle = {Ceramide increases free volume voids in DPPC membranes},<br \/>\r\nauthor = {E. Axpe and A. B. Garcia-Arribas and J. I. Mujika and D. Merida and A. Alonso and X. Lopez and J. A. Garcia and J. M. Ugalde and F. M. Goni and F. Plazaola},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000354964900045},<br \/>\r\ndoi = {10.1039\/c5ra05142h},<br \/>\r\nissn = {2046-2069},<br \/>\r\nyear  = {2015},<br \/>\r\ndate = {2015-01-01},<br \/>\r\njournal = {Rsc Advances},<br \/>\r\nvolume = {5},<br \/>\r\nnumber = {55},<br \/>\r\npages = {44282-44290},<br \/>\r\nnote = {Axpe, E. Garcia-Arribas, A. B. Mujika, J. I. Merida, D. Alonso, A. Lopez, X. Garcia, J. A. Ugalde, J. M. Goni, F. M. Plazaola, F. <br \/>\r\nAlonso, Alicia\/E-5310-2012; Lopez, Xabier\/G-5690-2015; Goni, Felix M\/M-5425-2015; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nAlonso, Alicia\/0000-0002-2730-7470; Lopez, Xabier\/0000-0002-2711-3588; Goni, Felix M\/0000-0001-6270-9216; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Garcia Arribas, Aritz\/0000-0003-1866-6647; Plazaola Muguruza, Fernando\/0000-0002-0081-8131; Axpe, Eneko\/0000-0002-9114-5306},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('304','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_304\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000354964900045\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000354964900045\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000354964900045<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c5ra05142h\" title=\"Follow DOI:10.1039\/c5ra05142h\" target=\"_blank\">doi:10.1039\/c5ra05142h<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('304','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">123.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Formoso, E.;  Mujika, J. I.;  Grabowski, S. J.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('374','tp_links')\" style=\"cursor:pointer;\">Aluminum and its effect in the equilibrium between folded\/unfolded conformation of NADH<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 152, <\/span><span class=\"tp_pub_additional_pages\">pp. 139-146, <\/span><span class=\"tp_pub_additional_year\">2015<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Formoso, Elena Mujika, Jon I. Grabowski, Slawomir J. Lopez, Xabier \r\nFormoso, Elena\/E-6834-2010; Mujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015; Grabowski, Slawomir J\/N-3119-2014 \r\nFormoso, Elena\/0000-0002-7106-3717; Mujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; \r\n1873-3344 \r\nSi)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_374\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('374','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_374\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('374','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_374\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN371,<br \/>\r\ntitle = {Aluminum and its effect in the equilibrium between folded\/unfolded conformation of NADH},<br \/>\r\nauthor = {E. Formoso and J. I. Mujika and S. J. Grabowski and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000367127800014},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2015.08.017},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2015},<br \/>\r\ndate = {2015-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {152},<br \/>\r\npages = {139-146},<br \/>\r\nnote = {Formoso, Elena Mujika, Jon I. Grabowski, Slawomir J. Lopez, Xabier <br \/>\r\nFormoso, Elena\/E-6834-2010; Mujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015; Grabowski, Slawomir J\/N-3119-2014 <br \/>\r\nFormoso, Elena\/0000-0002-7106-3717; Mujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; <br \/>\r\n1873-3344 <br \/>\r\nSi},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('374','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_374\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000367127800014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000367127800014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000367127800014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2015.08.017\" title=\"Follow DOI:10.1016\/j.jinorgbio.2015.08.017\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2015.08.017<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('374','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">122.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luque, N.;  Mujika, J. I.;  Formoso, E.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('594','tp_links')\" style=\"cursor:pointer;\">Aluminum interaction with 2,3-diphosphoglyceric acid. A computational studyle<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Rsc Advances, <\/span><span class=\"tp_pub_additional_volume\">vol. 5, <\/span><span class=\"tp_pub_additional_number\">no. 78, <\/span><span class=\"tp_pub_additional_pages\">pp. 63874-63881, <\/span><span class=\"tp_pub_additional_year\">2015<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2046-2069<\/span><span class=\"tp_pub_additional_note\">, (Luque, Noelia Mujika, Jon I. Formoso, Elena Lopez, Xabier \r\nMujika, Jon\/H-7132-2012; Formoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015 \r\nMujika, Jon\/0000-0002-4584-7497; Formoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_594\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('594','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_594\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('594','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_594\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN372,<br \/>\r\ntitle = {Aluminum interaction with 2,3-diphosphoglyceric acid. A computational studyle},<br \/>\r\nauthor = {N. Luque and J. I. Mujika and E. Formoso and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000358734800089},<br \/>\r\ndoi = {10.1039\/c5ra06796k},<br \/>\r\nissn = {2046-2069},<br \/>\r\nyear  = {2015},<br \/>\r\ndate = {2015-01-01},<br \/>\r\njournal = {Rsc Advances},<br \/>\r\nvolume = {5},<br \/>\r\nnumber = {78},<br \/>\r\npages = {63874-63881},<br \/>\r\nnote = {Luque, Noelia Mujika, Jon I. Formoso, Elena Lopez, Xabier <br \/>\r\nMujika, Jon\/H-7132-2012; Formoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMujika, Jon\/0000-0002-4584-7497; Formoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('594','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_594\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000358734800089\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000358734800089\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000358734800089<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c5ra06796k\" title=\"Follow DOI:10.1039\/c5ra06796k\" target=\"_blank\">doi:10.1039\/c5ra06796k<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('594','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">121.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Piris, M.;  Ruiperez, F.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('566','tp_links')\" style=\"cursor:pointer;\">Performance of PNOF6 for Hydrogen Abstraction Reactions<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 119, <\/span><span class=\"tp_pub_additional_number\">no. 27, <\/span><span class=\"tp_pub_additional_pages\">pp. 6981-6988, <\/span><span class=\"tp_pub_additional_year\">2015<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Piris, Mario Ruiperez, Fernando Ugalde, Jesus M. \r\nRuiperez, Fernando\/H-9744-2013; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 \r\nRuiperez, Fernando\/0000-0002-5585-245X; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_566\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('566','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_566\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('566','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_566\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN40,<br \/>\r\ntitle = {Performance of PNOF6 for Hydrogen Abstraction Reactions},<br \/>\r\nauthor = {X. Lopez and M. Piris and F. Ruiperez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000357963400005},<br \/>\r\ndoi = {10.1021\/acs.jpca.5b01585},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {2015},<br \/>\r\ndate = {2015-01-01},<br \/>\r\nurldate = {2015-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {119},<br \/>\r\nnumber = {27},<br \/>\r\npages = {6981-6988},<br \/>\r\nnote = {Lopez, Xabier Piris, Mario Ruiperez, Fernando Ugalde, Jesus M. <br \/>\r\nRuiperez, Fernando\/H-9744-2013; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 <br \/>\r\nRuiperez, Fernando\/0000-0002-5585-245X; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('566','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_566\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000357963400005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000357963400005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000357963400005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpca.5b01585\" title=\"Follow DOI:10.1021\/acs.jpca.5b01585\" target=\"_blank\">doi:10.1021\/acs.jpca.5b01585<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('566','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">120.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Piris, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('561','tp_links')\" style=\"cursor:pointer;\">PNOF5 calculations based on the <\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Theoretical Chemistry Accounts, <\/span><span class=\"tp_pub_additional_volume\">vol. 134, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_year\">2015<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1432-881X<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Piris, Mario \r\nLopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 \r\nLopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953 \r\n1432-2234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_561\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('561','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_561\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('561','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_561\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN316,<br \/>\r\ntitle = {PNOF5 calculations based on the },<br \/>\r\nauthor = {X. Lopez and M. Piris},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000365330100002},<br \/>\r\ndoi = {10.1007\/s00214-015-1756-x},<br \/>\r\nissn = {1432-881X},<br \/>\r\nyear  = {2015},<br \/>\r\ndate = {2015-01-01},<br \/>\r\nurldate = {2015-01-01},<br \/>\r\njournal = {Theoretical Chemistry Accounts},<br \/>\r\nvolume = {134},<br \/>\r\nnumber = {12},<br \/>\r\nnote = {Lopez, Xabier Piris, Mario <br \/>\r\nLopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953 <br \/>\r\n1432-2234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('561','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_561\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000365330100002\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000365330100002\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000365330100002<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-015-1756-x\" title=\"Follow DOI:10.1007\/s00214-015-1756-x\" target=\"_blank\">doi:10.1007\/s00214-015-1756-x<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('561','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2014\">2014<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">119.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luque, N. B.;  Mujika, J. I.;  Rezabal, E.;  Ugalde, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('593','tp_links')\" style=\"cursor:pointer;\">Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1:1 complexes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 16, <\/span><span class=\"tp_pub_additional_number\">no. 37, <\/span><span class=\"tp_pub_additional_pages\">pp. 20107-20119, <\/span><span class=\"tp_pub_additional_year\">2014<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Luque, Noelia B. Mujika, Jon I. Rezabal, Elixabete Ugalde, Jesus M. Lopez, Xabier \r\nLuque, Noelia B\/H-3736-2013; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Mujika, Jon\/H-7132-2012 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Mujika, Jon\/0000-0002-4584-7497 \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_593\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('593','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_593\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('593','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_593\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN55,<br \/>\r\ntitle = {Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1:1 complexes},<br \/>\r\nauthor = {N. B. Luque and J. I. Mujika and E. Rezabal and J. M. Ugalde and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000341359700038},<br \/>\r\ndoi = {10.1039\/c4cp02770a},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2014},<br \/>\r\ndate = {2014-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {16},<br \/>\r\nnumber = {37},<br \/>\r\npages = {20107-20119},<br \/>\r\nnote = {Luque, Noelia B. Mujika, Jon I. Rezabal, Elixabete Ugalde, Jesus M. Lopez, Xabier <br \/>\r\nLuque, Noelia B\/H-3736-2013; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Mujika, Jon\/H-7132-2012 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('593','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_593\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000341359700038\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000341359700038\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000341359700038<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c4cp02770a\" title=\"Follow DOI:10.1039\/c4cp02770a\" target=\"_blank\">doi:10.1039\/c4cp02770a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('593','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">118.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Rezabal, E.;  Mercero, J. M.;  Ruiperez, F.;  Costa, D.;  Ugalde, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('263','tp_links')\" style=\"cursor:pointer;\">Aluminium in Biological Environments: A Computational Approach<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Computational and Structural Biotechnology Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 9, <\/span><span class=\"tp_pub_additional_number\">no. 15, <\/span><span class=\"tp_pub_additional_year\">2014<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2001-0370<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Rezabal, Elixabete Mercero, Jose M. Ruiperez, Fernando Costa, Dominique Ugalde, Jesus M. Lopez, Xabier \r\nUgalde, Jesus\/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Ruiperez, Fernando\/H-9744-2013; Mercero, Jose\/E-6828-2010; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 \r\nUgalde, Jesus\/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Ruiperez, Fernando\/0000-0002-5585-245X; Mercero, Jose\/0000-0003-4857-6685; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_263\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('263','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_263\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('263','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_263\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN52,<br \/>\r\ntitle = {Aluminium in Biological Environments: A Computational Approach},<br \/>\r\nauthor = {J. I. Mujika and E. Rezabal and J. M. Mercero and F. Ruiperez and D. Costa and J. M. Ugalde and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000219037100002},<br \/>\r\ndoi = {10.5936\/csbj.201403002},<br \/>\r\nissn = {2001-0370},<br \/>\r\nyear  = {2014},<br \/>\r\ndate = {2014-01-01},<br \/>\r\njournal = {Computational and Structural Biotechnology Journal},<br \/>\r\nvolume = {9},<br \/>\r\nnumber = {15},<br \/>\r\nnote = {Mujika, Jon I. Rezabal, Elixabete Mercero, Jose M. Ruiperez, Fernando Costa, Dominique Ugalde, Jesus M. Lopez, Xabier <br \/>\r\nUgalde, Jesus\/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Ruiperez, Fernando\/H-9744-2013; Mercero, Jose\/E-6828-2010; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Ruiperez, Fernando\/0000-0002-5585-245X; Mercero, Jose\/0000-0003-4857-6685; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('263','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_263\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000219037100002\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000219037100002\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000219037100002<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.5936\/csbj.201403002\" title=\"Follow DOI:10.5936\/csbj.201403002\" target=\"_blank\">doi:10.5936\/csbj.201403002<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('263','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">117.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Ugalde, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('656','tp_links')\" style=\"cursor:pointer;\">Aluminum Interaction with Glutamate and alpha-Ketoglutarate: A Computational Study<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 118, <\/span><span class=\"tp_pub_additional_number\">no. 24, <\/span><span class=\"tp_pub_additional_pages\">pp. 6680-6686, <\/span><span class=\"tp_pub_additional_year\">2014<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J. I. Ugalde, J. M. Lopez, X. \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 \r\n1520-5207 \r\nSi)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_656\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('656','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_656\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('656','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_656\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN118,<br \/>\r\ntitle = {Aluminum Interaction with Glutamate and alpha-Ketoglutarate: A Computational Study},<br \/>\r\nauthor = {J. I. Mujika and J. M. Ugalde and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000337784100036},<br \/>\r\ndoi = {10.1021\/jp502724w},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2014},<br \/>\r\ndate = {2014-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {118},<br \/>\r\nnumber = {24},<br \/>\r\npages = {6680-6686},<br \/>\r\nnote = {Mujika, J. I. Ugalde, J. M. Lopez, X. <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1520-5207 <br \/>\r\nSi},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('656','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_656\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000337784100036\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000337784100036\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000337784100036<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp502724w\" title=\"Follow DOI:10.1021\/jp502724w\" target=\"_blank\">doi:10.1021\/jp502724w<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('656','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">116.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Piris, M.;  Nakano, M.;  Champagne, B.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('565','tp_links')\" style=\"cursor:pointer;\">Natural orbital functional calculations of molecular polarizabilities and second hyperpolarizabilities. The hydrogen molecule as a test case<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physics B-Atomic Molecular and Optical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 47, <\/span><span class=\"tp_pub_additional_number\">no. 1, <\/span><span class=\"tp_pub_additional_year\">2014<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0953-4075<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Piris, Mario Nakano, Masayoshi Champagne, Benoit \r\nnakano, masayoshi\/AAL-8624-2020; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 \r\nnakano, masayoshi\/0000-0002-3544-1290; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; CHAMPAGNE, Benoit\/0000-0003-3678-8875 \r\n1361-6455)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_565\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('565','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_565\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('565','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_565\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN325,<br \/>\r\ntitle = {Natural orbital functional calculations of molecular polarizabilities and second hyperpolarizabilities. The hydrogen molecule as a test case},<br \/>\r\nauthor = {X. Lopez and M. Piris and M. Nakano and B. Champagne},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000328945800005},<br \/>\r\ndoi = {10.1088\/0953-4075\/47\/1\/015101},<br \/>\r\nissn = {0953-4075},<br \/>\r\nyear  = {2014},<br \/>\r\ndate = {2014-01-01},<br \/>\r\nurldate = {2014-01-01},<br \/>\r\njournal = {Journal of Physics B-Atomic Molecular and Optical Physics},<br \/>\r\nvolume = {47},<br \/>\r\nnumber = {1},<br \/>\r\nnote = {Lopez, Xabier Piris, Mario Nakano, Masayoshi Champagne, Benoit <br \/>\r\nnakano, masayoshi\/AAL-8624-2020; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 <br \/>\r\nnakano, masayoshi\/0000-0002-3544-1290; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; CHAMPAGNE, Benoit\/0000-0003-3678-8875 <br \/>\r\n1361-6455},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('565','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_565\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000328945800005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000328945800005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000328945800005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1088\/0953-4075\/47\/1\/015101\" title=\"Follow DOI:10.1088\/0953-4075\/47\/1\/015101\" target=\"_blank\">doi:10.1088\/0953-4075\/47\/1\/015101<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('565','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_inproceedings\"><td class=\"tp_pub_number\">115.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('694','tp_links')\" style=\"cursor:pointer;\">The one-electron picture in the Piris natural orbital functional 5 (PNOF5)<\/a> (<span class=\"tp_pub_type tp_  inproceedings\">Proceedings Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_booktitle\">8th Congress on Electronic Structure - Principles and Applications (ESPA), <\/span><span class=\"tp_pub_additional_pages\">pp. 5-15, <\/span><span class=\"tp_pub_additional_year\">2014<\/span>, <span class=\"tp_pub_additional_isbn\">ISBN: 978-3-642-41271-4; 978-3-642-41272-1<\/span><span class=\"tp_pub_additional_note\">, (Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. \r\nPiris, Mario\/E-7406-2010 \r\nPiris, Mario\/0000-0003-0222-2953 \r\n2194-8666)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_694\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('694','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_694\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('694','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_694\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@inproceedings{RN56,<br \/>\r\ntitle = {The one-electron picture in the Piris natural orbital functional 5 (PNOF5)},<br \/>\r\nauthor = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000347159700001},<br \/>\r\ndoi = {10.1007\/s00214-012-1298-4},<br \/>\r\nisbn = {978-3-642-41271-4; 978-3-642-41272-1},<br \/>\r\nyear  = {2014},<br \/>\r\ndate = {2014-01-01},<br \/>\r\nurldate = {2014-01-01},<br \/>\r\nbooktitle = {8th Congress on Electronic Structure - Principles and Applications (ESPA)},<br \/>\r\nvolume = {5},<br \/>\r\npages = {5-15},<br \/>\r\nseries = {Highlights in Theoretical Chemistry},<br \/>\r\nnote = {Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nPiris, Mario\/E-7406-2010 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953 <br \/>\r\n2194-8666},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {inproceedings}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('694','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_694\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000347159700001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000347159700001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000347159700001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-012-1298-4\" title=\"Follow DOI:10.1007\/s00214-012-1298-4\" target=\"_blank\">doi:10.1007\/s00214-012-1298-4<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('694','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2013\">2013<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">114.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Azpiroz, J. M.;  Matxain, J. M.;  Infante, I.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('308','tp_links')\" style=\"cursor:pointer;\">A DFT\/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)(13) nanocluster<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 15, <\/span><span class=\"tp_pub_additional_number\">no. 26, <\/span><span class=\"tp_pub_additional_pages\">pp. 10996-11005, <\/span><span class=\"tp_pub_additional_year\">2013<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Azpiroz, Jon M. Matxain, Jon M. Infante, Ivan Lopez, Xabier Ugalde, Jesus M. \r\nMatxain, Jon M.\/J-8184-2014; Ugalde, Jesus\/M-2771-2014; Infante, Ivan\/A-1912-2011; Lopez, Xabier\/G-5690-2015 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Ugalde, Jesus\/0000-0001-8980-9751; Infante, Ivan\/0000-0003-3467-9376; Lopez, Xabier\/0000-0002-2711-3588 \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_308\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('308','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_308\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('308','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_308\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN63,<br \/>\r\ntitle = {A DFT\/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)(13) nanocluster},<br \/>\r\nauthor = {J. M. Azpiroz and J. M. Matxain and I. Infante and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000320321600048},<br \/>\r\ndoi = {10.1039\/c3cp51687c},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2013},<br \/>\r\ndate = {2013-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {15},<br \/>\r\nnumber = {26},<br \/>\r\npages = {10996-11005},<br \/>\r\nnote = {Azpiroz, Jon M. Matxain, Jon M. Infante, Ivan Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nMatxain, Jon M.\/J-8184-2014; Ugalde, Jesus\/M-2771-2014; Infante, Ivan\/A-1912-2011; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMatxain, Jon M.\/0000-0002-6342-0649; Ugalde, Jesus\/0000-0001-8980-9751; Infante, Ivan\/0000-0003-3467-9376; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('308','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_308\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000320321600048\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000320321600048\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000320321600048<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c3cp51687c\" title=\"Follow DOI:10.1039\/c3cp51687c\" target=\"_blank\">doi:10.1039\/c3cp51687c<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('308','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">113.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ribeiro, T.;  Motta, A.;  Marcus, P.;  Gaigeot, M. P.;  Lopez, X.;  Costa, D.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('720','tp_links')\" style=\"cursor:pointer;\">Formation of the OOH center dot radical at steps of the boehmite surface and its inhibition by gallic acid: A theoretical study including DFT-based dynamics<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 128, <\/span><span class=\"tp_pub_additional_pages\">pp. 164-173, <\/span><span class=\"tp_pub_additional_year\">2013<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Ribeiro, T. Motta, A. Marcus, P. Gaigeot, M. -P. Lopez, X. Costa, D. \r\nLopez, Xabier\/G-5690-2015; Motta, Alessandro\/HJO-9047-2023 \r\nLopez, Xabier\/0000-0002-2711-3588; Motta, Alessandro\/0000-0003-0235-2088 \r\n1873-3344 \r\nSi)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_720\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('720','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_720\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('720','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_720\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN373,<br \/>\r\ntitle = {Formation of the OOH center dot radical at steps of the boehmite surface and its inhibition by gallic acid: A theoretical study including DFT-based dynamics},<br \/>\r\nauthor = {T. Ribeiro and A. Motta and P. Marcus and M. P. Gaigeot and X. Lopez and D. Costa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000326060800020},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2013.07.024},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2013},<br \/>\r\ndate = {2013-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {128},<br \/>\r\npages = {164-173},<br \/>\r\nnote = {Ribeiro, T. Motta, A. Marcus, P. Gaigeot, M. -P. Lopez, X. Costa, D. <br \/>\r\nLopez, Xabier\/G-5690-2015; Motta, Alessandro\/HJO-9047-2023 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Motta, Alessandro\/0000-0003-0235-2088 <br \/>\r\n1873-3344 <br \/>\r\nSi},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('720','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_720\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000326060800020\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000326060800020\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000326060800020<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2013.07.024\" title=\"Follow DOI:10.1016\/j.jinorgbio.2013.07.024\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2013.07.024<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('720','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">112.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Ruiperez, F.;  Infante, I.;  Lopez, X.;  Ugalde, J. M.;  Merino, G.;  Piris, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('621','tp_links')\" style=\"cursor:pointer;\">Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 138, <\/span><span class=\"tp_pub_additional_number\">no. 15, <\/span><span class=\"tp_pub_additional_year\">2013<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Ruiperez, Fernando Infante, Ivan Lopez, Xabier Ugalde, Jesus M. Merino, Gabriel Piris, Mario \r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ruiperez, Fernando\/H-9744-2013; Merino, Gabriel\/A-1046-2009; Infante, Ivan\/A-1912-2011; Matxain, Jon M.\/J-8184-2014 \r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ruiperez, Fernando\/0000-0002-5585-245X; Infante, Ivan\/0000-0003-3467-9376; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_621\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('621','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_621\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('621','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_621\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN60,<br \/>\r\ntitle = {Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective},<br \/>\r\nauthor = {J. M. Matxain and F. Ruiperez and I. Infante and X. Lopez and J. M. Ugalde and G. Merino and M. Piris},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000317814900002},<br \/>\r\ndoi = {10.1063\/1.4802585},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2013},<br \/>\r\ndate = {2013-01-01},<br \/>\r\nurldate = {2013-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {138},<br \/>\r\nnumber = {15},<br \/>\r\nnote = {Matxain, Jon M. Ruiperez, Fernando Infante, Ivan Lopez, Xabier Ugalde, Jesus M. Merino, Gabriel Piris, Mario <br \/>\r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ruiperez, Fernando\/H-9744-2013; Merino, Gabriel\/A-1046-2009; Infante, Ivan\/A-1912-2011; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ruiperez, Fernando\/0000-0002-5585-245X; Infante, Ivan\/0000-0003-3467-9376; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('621','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_621\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000317814900002\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000317814900002\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000317814900002<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.4802585\" title=\"Follow DOI:10.1063\/1.4802585\" target=\"_blank\">doi:10.1063\/1.4802585<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('621','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">111.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Matxain, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('689','tp_links')\" style=\"cursor:pointer;\">The intrapair electron correlation in natural orbital functional theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 139, <\/span><span class=\"tp_pub_additional_number\">no. 23, <\/span><span class=\"tp_pub_additional_year\">2013<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, M. Matxain, J. M. Lopez, X. \r\nLopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010 \r\nLopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_689\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('689','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_689\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('689','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_689\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN326,<br \/>\r\ntitle = {The intrapair electron correlation in natural orbital functional theory},<br \/>\r\nauthor = {M. Piris and J. M. Matxain and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000329191300009},<br \/>\r\ndoi = {10.1063\/1.4844075},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2013},<br \/>\r\ndate = {2013-01-01},<br \/>\r\nurldate = {2013-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {139},<br \/>\r\nnumber = {23},<br \/>\r\nnote = {Piris, M. Matxain, J. M. Lopez, X. <br \/>\r\nLopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('689','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_689\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000329191300009\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000329191300009\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000329191300009<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.4844075\" title=\"Follow DOI:10.1063\/1.4844075\" target=\"_blank\">doi:10.1063\/1.4844075<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('689','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">110.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('695','tp_links')\" style=\"cursor:pointer;\">The one-electron picture in the Piris natural orbital functional 5 (PNOF5)<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Theoretical Chemistry Accounts, <\/span><span class=\"tp_pub_additional_volume\">vol. 132, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_year\">2013<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1432-881X<\/span><span class=\"tp_pub_additional_note\">, (Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. \r\nPiris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nPiris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 \r\n1432-2234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_695\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('695','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_695\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('695','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_695\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN62,<br \/>\r\ntitle = {The one-electron picture in the Piris natural orbital functional 5 (PNOF5)},<br \/>\r\nauthor = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000318294700001},<br \/>\r\ndoi = {10.1007\/s00214-012-1298-4},<br \/>\r\nissn = {1432-881X},<br \/>\r\nyear  = {2013},<br \/>\r\ndate = {2013-01-01},<br \/>\r\nurldate = {2013-01-01},<br \/>\r\njournal = {Theoretical Chemistry Accounts},<br \/>\r\nvolume = {132},<br \/>\r\nnumber = {2},<br \/>\r\nnote = {Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nPiris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 <br \/>\r\n1432-2234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('695','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_695\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000318294700001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000318294700001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000318294700001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-012-1298-4\" title=\"Follow DOI:10.1007\/s00214-012-1298-4\" target=\"_blank\">doi:10.1007\/s00214-012-1298-4<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('695','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2012\">2012<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">109.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Azpiroz, J. M.;  Infante, I.;  Lopez, X.;  Ugalde, J. M.;  Angelis, F. De<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('305','tp_links')\" style=\"cursor:pointer;\">A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Materials Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 22, <\/span><span class=\"tp_pub_additional_number\">no. 40, <\/span><span class=\"tp_pub_additional_pages\">pp. 21453-21465, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0959-9428<\/span><span class=\"tp_pub_additional_note\">, (Azpiroz, Jon M. Infante, Ivan Lopez, Xabier Ugalde, Jesus M. De Angelis, Filippo \r\nInfante, Ivan\/A-1912-2011; De Angelis, Filippo\/N-4341-2015; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nInfante, Ivan\/0000-0003-3467-9376; De Angelis, Filippo\/0000-0003-3833-1975; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 \r\n1364-5501)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_305\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('305','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_305\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('305','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_305\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN66,<br \/>\r\ntitle = {A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures},<br \/>\r\nauthor = {J. M. Azpiroz and I. Infante and X. Lopez and J. M. Ugalde and F. De Angelis},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000309852400019},<br \/>\r\ndoi = {10.1039\/c2jm33744d},<br \/>\r\nissn = {0959-9428},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\njournal = {Journal of Materials Chemistry},<br \/>\r\nvolume = {22},<br \/>\r\nnumber = {40},<br \/>\r\npages = {21453-21465},<br \/>\r\nnote = {Azpiroz, Jon M. Infante, Ivan Lopez, Xabier Ugalde, Jesus M. De Angelis, Filippo <br \/>\r\nInfante, Ivan\/A-1912-2011; De Angelis, Filippo\/N-4341-2015; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nInfante, Ivan\/0000-0003-3467-9376; De Angelis, Filippo\/0000-0003-3833-1975; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 <br \/>\r\n1364-5501},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('305','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_305\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000309852400019\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000309852400019\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000309852400019<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c2jm33744d\" title=\"Follow DOI:10.1039\/c2jm33744d\" target=\"_blank\">doi:10.1039\/c2jm33744d<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('305','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">108.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Azpiroz, J. M.;  Lopez, X.;  Ugalde, J. M.;  Infante, I.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('307','tp_links')\" style=\"cursor:pointer;\">Modeling Surface Passivation of ZnS Quantum Dots<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry C, <\/span><span class=\"tp_pub_additional_volume\">vol. 116, <\/span><span class=\"tp_pub_additional_number\">no. 4, <\/span><span class=\"tp_pub_additional_pages\">pp. 2740-2750, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1932-7447<\/span><span class=\"tp_pub_additional_note\">, (Azpiroz, Jon M. Lopez, Xabier Ugalde, Jesus M. Infante, Ivan \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Infante, Ivan\/A-1912-2011 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Infante, Ivan\/0000-0003-3467-9376 \r\n1932-7455)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_307\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('307','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_307\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('307','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_307\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN72,<br \/>\r\ntitle = {Modeling Surface Passivation of ZnS Quantum Dots},<br \/>\r\nauthor = {J. M. Azpiroz and X. Lopez and J. M. Ugalde and I. Infante},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000300462400012},<br \/>\r\ndoi = {10.1021\/jp209863p},<br \/>\r\nissn = {1932-7447},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry C},<br \/>\r\nvolume = {116},<br \/>\r\nnumber = {4},<br \/>\r\npages = {2740-2750},<br \/>\r\nnote = {Azpiroz, Jon M. Lopez, Xabier Ugalde, Jesus M. Infante, Ivan <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Infante, Ivan\/A-1912-2011 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Infante, Ivan\/0000-0003-3467-9376 <br \/>\r\n1932-7455},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('307','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_307\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000300462400012\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000300462400012\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000300462400012<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp209863p\" title=\"Follow DOI:10.1021\/jp209863p\" target=\"_blank\">doi:10.1021\/jp209863p<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('307','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">107.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ludena, E. V.;  Echevarria, L.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('588','tp_links')\" style=\"cursor:pointer;\">Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 136, <\/span><span class=\"tp_pub_additional_number\">no. 8, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Ludena, E. V. Echevarria, L. Lopez, X. Ugalde, J. M. \r\nLudena, Eduardo V\/ABE-4825-2021; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Echevarria, Lorenzo\/A-6813-2009 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Ludena, Eduardo V.\/0000-0003-1381-7194 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_588\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('588','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_588\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('588','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_588\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN123,<br \/>\r\ntitle = {Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure},<br \/>\r\nauthor = {E. V. Ludena and L. Echevarria and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000300944000005},<br \/>\r\ndoi = {10.1063\/1.3682244},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {136},<br \/>\r\nnumber = {8},<br \/>\r\nnote = {Ludena, E. V. Echevarria, L. Lopez, X. Ugalde, J. M. <br \/>\r\nLudena, Eduardo V\/ABE-4825-2021; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Echevarria, Lorenzo\/A-6813-2009 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Ludena, Eduardo V.\/0000-0003-1381-7194 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('588','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_588\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000300944000005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000300944000005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000300944000005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.3682244\" title=\"Follow DOI:10.1063\/1.3682244\" target=\"_blank\">doi:10.1063\/1.3682244<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('588','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">106.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Escribano, B.;  Akhmatskaya, E.;  Ugalde, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('644','tp_links')\" style=\"cursor:pointer;\">Molecular Dynamics Simulations of Iron- and Aluminum-Loaded Serum Transferrin: Protonation of Tyr188 Is Necessary To Prompt Metal Release<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 51, <\/span><span class=\"tp_pub_additional_number\">no. 35, <\/span><span class=\"tp_pub_additional_pages\">pp. 7017-7027, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0006-2960<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J. I. Escribano, B. Akhmatskaya, E. Ugalde, J. M. Lopez, X. \r\nLopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014; Escribano, Bruno\/HJY-4762-2023 \r\nLopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Akhmatskaya, Elena\/0000-0002-5136-7991; Escribano, Bruno\/0000-0003-3422-9279)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_644\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('644','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_644\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('644','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_644\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN122,<br \/>\r\ntitle = {Molecular Dynamics Simulations of Iron- and Aluminum-Loaded Serum Transferrin: Protonation of Tyr188 Is Necessary To Prompt Metal Release},<br \/>\r\nauthor = {J. I. Mujika and B. Escribano and E. Akhmatskaya and J. M. Ugalde and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000308269700014},<br \/>\r\ndoi = {10.1021\/bi300584p},<br \/>\r\nissn = {0006-2960},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\njournal = {Biochemistry},<br \/>\r\nvolume = {51},<br \/>\r\nnumber = {35},<br \/>\r\npages = {7017-7027},<br \/>\r\nnote = {Mujika, J. I. Escribano, B. Akhmatskaya, E. Ugalde, J. M. Lopez, X. <br \/>\r\nLopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014; Escribano, Bruno\/HJY-4762-2023 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Akhmatskaya, Elena\/0000-0002-5136-7991; Escribano, Bruno\/0000-0003-3422-9279},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('644','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_644\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000308269700014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000308269700014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000308269700014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/bi300584p\" title=\"Follow DOI:10.1021\/bi300584p\" target=\"_blank\">doi:10.1021\/bi300584p<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('644','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">105.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Lopez, X.;  Mulholland, A. J.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('647','tp_links')\" style=\"cursor:pointer;\">Mechanism of C-terminal intein cleavage in protein splicing from QM\/MM molecular dynamics simulations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Organic &amp; Biomolecular Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 10, <\/span><span class=\"tp_pub_additional_number\">no. 6, <\/span><span class=\"tp_pub_additional_pages\">pp. 1207-1218, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1477-0520<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Lopez, Xabier Mulholland, Adrian J. \r\nMujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015 \r\nMujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Mulholland, Adrian\/0000-0003-1015-4567 \r\n1477-0539)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_647\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('647','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_647\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('647','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_647\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN374,<br \/>\r\ntitle = {Mechanism of C-terminal intein cleavage in protein splicing from QM\/MM molecular dynamics simulations},<br \/>\r\nauthor = {J. I. Mujika and X. Lopez and A. J. Mulholland},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000299342200011},<br \/>\r\ndoi = {10.1039\/c1ob06444d},<br \/>\r\nissn = {1477-0520},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\njournal = {Organic & Biomolecular Chemistry},<br \/>\r\nvolume = {10},<br \/>\r\nnumber = {6},<br \/>\r\npages = {1207-1218},<br \/>\r\nnote = {Mujika, Jon I. Lopez, Xabier Mulholland, Adrian J. <br \/>\r\nMujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Mulholland, Adrian\/0000-0003-1015-4567 <br \/>\r\n1477-0539},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('647','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_647\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000299342200011\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000299342200011\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000299342200011<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c1ob06444d\" title=\"Follow DOI:10.1039\/c1ob06444d\" target=\"_blank\">doi:10.1039\/c1ob06444d<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('647','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">104.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Ugalde, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('655','tp_links')\" style=\"cursor:pointer;\">Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 14, <\/span><span class=\"tp_pub_additional_number\">no. 36, <\/span><span class=\"tp_pub_additional_pages\">pp. 12465-12475, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J. I. Ugalde, J. M. Lopez, X. \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_655\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('655','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_655\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('655','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_655\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN125,<br \/>\r\ntitle = {Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution},<br \/>\r\nauthor = {J. I. Mujika and J. M. Ugalde and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000307900800007},<br \/>\r\ndoi = {10.1039\/c2cp40671c},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {14},<br \/>\r\nnumber = {36},<br \/>\r\npages = {12465-12475},<br \/>\r\nnote = {Mujika, J. I. Ugalde, J. M. Lopez, X. <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('655','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_655\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000307900800007\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000307900800007\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000307900800007<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c2cp40671c\" title=\"Follow DOI:10.1039\/c2cp40671c\" target=\"_blank\">doi:10.1039\/c2cp40671c<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('655','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">103.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ruiperez, F.;  Mujika, J. J.;  Ugalde, J. M.;  Exley, C.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('731','tp_links')\" style=\"cursor:pointer;\">Pro-oxidant activity of aluminum: Promoting the Fenton reaction by reducing Fe(III) to Fe(II)<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 117, <\/span><span class=\"tp_pub_additional_pages\">pp. 118-123, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Ruiperez, F. Mujika, J. J. Ugalde, J. M. Exley, C. Lopez, X. \r\nRuiperez, Fernando\/H-9744-2013; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014 \r\nRuiperez, Fernando\/0000-0002-5585-245X; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Exley, Christopher\/0000-0002-5116-7607 \r\n1873-3344)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_731\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('731','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_731\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('731','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_731\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN121,<br \/>\r\ntitle = {Pro-oxidant activity of aluminum: Promoting the Fenton reaction by reducing Fe(III) to Fe(II)},<br \/>\r\nauthor = {F. Ruiperez and J. J. Mujika and J. M. Ugalde and C. Exley and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000311819300014},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2012.09.008},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {117},<br \/>\r\npages = {118-123},<br \/>\r\nnote = {Ruiperez, F. Mujika, J. J. Ugalde, J. M. Exley, C. Lopez, X. <br \/>\r\nRuiperez, Fernando\/H-9744-2013; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nRuiperez, Fernando\/0000-0002-5585-245X; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Exley, Christopher\/0000-0002-5116-7607 <br \/>\r\n1873-3344},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('731','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_731\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000311819300014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000311819300014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000311819300014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2012.09.008\" title=\"Follow DOI:10.1016\/j.jinorgbio.2012.09.008\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2012.09.008<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('731','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">102.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ruiperez, F.;  Piris, M.;  Matxain, J. M.;  Matito, E.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('567','tp_links')\" style=\"cursor:pointer;\">Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C-C and O-O Homolytic Bond Cleavage in Selected Molecules<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Theory and Computation, <\/span><span class=\"tp_pub_additional_volume\">vol. 8, <\/span><span class=\"tp_pub_additional_number\">no. 8, <\/span><span class=\"tp_pub_additional_pages\">pp. 2646-2652, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1549-9618<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Ruiperez, Fernando Piris, Mario Matxain, Jon M. Matito, Eduard Ugalde, Jesus M. \r\nMatito, Eduard\/A-6532-2009; Ugalde, Jesus\/M-2771-2014; Ruiperez, Fernando\/H-9744-2013; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014 \r\nMatito, Eduard\/0000-0001-6895-4562; Ugalde, Jesus\/0000-0001-8980-9751; Ruiperez, Fernando\/0000-0002-5585-245X; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1549-9626)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_567\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('567','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_567\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('567','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_567\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN67,<br \/>\r\ntitle = {Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C-C and O-O Homolytic Bond Cleavage in Selected Molecules},<br \/>\r\nauthor = {X. Lopez and F. Ruiperez and M. Piris and J. M. Matxain and E. Matito and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000307478800011},<br \/>\r\ndoi = {10.1021\/ct300414t},<br \/>\r\nissn = {1549-9618},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\nurldate = {2012-01-01},<br \/>\r\njournal = {Journal of Chemical Theory and Computation},<br \/>\r\nvolume = {8},<br \/>\r\nnumber = {8},<br \/>\r\npages = {2646-2652},<br \/>\r\nnote = {Lopez, Xabier Ruiperez, Fernando Piris, Mario Matxain, Jon M. Matito, Eduard Ugalde, Jesus M. <br \/>\r\nMatito, Eduard\/A-6532-2009; Ugalde, Jesus\/M-2771-2014; Ruiperez, Fernando\/H-9744-2013; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nMatito, Eduard\/0000-0001-6895-4562; Ugalde, Jesus\/0000-0001-8980-9751; Ruiperez, Fernando\/0000-0002-5585-245X; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1549-9626},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('567','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_567\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000307478800011\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000307478800011\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000307478800011<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ct300414t\" title=\"Follow DOI:10.1021\/ct300414t\" target=\"_blank\">doi:10.1021\/ct300414t<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('567','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">101.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Piris, M.;  Mercero, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('236','tp_links')\" style=\"cursor:pointer;\">sp(3) Hybrid orbitals and ionization energies of methane from PNOF5<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemical Physics Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 531, <\/span><span class=\"tp_pub_additional_pages\">pp. 272-274, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0009-2614<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Piris, Mario Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. \r\nUgalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010; Mercero, Jose\/E-6828-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953; Mercero, Jose\/0000-0003-4857-6685; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 \r\n1873-4448)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_236\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('236','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_236\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('236','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_236\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN71,<br \/>\r\ntitle = {sp(3) Hybrid orbitals and ionization energies of methane from PNOF5},<br \/>\r\nauthor = {J. M. Matxain and M. Piris and J. M. Mercero and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000301931800052},<br \/>\r\ndoi = {10.1016\/j.cplett.2012.02.041},<br \/>\r\nissn = {0009-2614},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\nurldate = {2012-01-01},<br \/>\r\njournal = {Chemical Physics Letters},<br \/>\r\nvolume = {531},<br \/>\r\npages = {272-274},<br \/>\r\nnote = {Matxain, Jon M. Piris, Mario Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nUgalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010; Mercero, Jose\/E-6828-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953; Mercero, Jose\/0000-0003-4857-6685; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1873-4448},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('236','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_236\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000301931800052\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000301931800052\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000301931800052<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.cplett.2012.02.041\" title=\"Follow DOI:10.1016\/j.cplett.2012.02.041\" target=\"_blank\">doi:10.1016\/j.cplett.2012.02.041<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('236','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">100.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('693','tp_links')\" style=\"cursor:pointer;\">The extended Koopmans' theorem: Vertical ionization potentials from natural orbital functional theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 136, <\/span><span class=\"tp_pub_additional_number\">no. 17, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. \r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 \r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_693\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('693','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_693\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('693','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_693\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN70,<br \/>\r\ntitle = {The extended Koopmans' theorem: Vertical ionization potentials from natural orbital functional theory},<br \/>\r\nauthor = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000303935700017},<br \/>\r\ndoi = {10.1063\/1.4709769},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\nurldate = {2012-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {136},<br \/>\r\nnumber = {17},<br \/>\r\nnote = {Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('693','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_693\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000303935700017\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000303935700017\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000303935700017<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.4709769\" title=\"Follow DOI:10.1063\/1.4709769\" target=\"_blank\">doi:10.1063\/1.4709769<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('693','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">99.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Piris, M.;  Uranga, J.;  Lopez, X.;  Merino, G.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('618','tp_links')\" style=\"cursor:pointer;\">The Nature of Chemical Bonds from PNOF5 Calculations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemphyschem, <\/span><span class=\"tp_pub_additional_volume\">vol. 13, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 2297-2303, <\/span><span class=\"tp_pub_additional_year\">2012<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1439-4235<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Piris, Mario Uranga, Jon Lopez, Xabier Merino, Gabriel Ugalde, Jesus M. \r\nLopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Uranga, Jon\/ABC-3945-2021; Merino, Gabriel\/A-1046-2009 \r\nLopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Uranga, Jon\/0000-0002-1256-6656; \r\n1439-7641)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_618\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('618','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_618\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('618','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_618\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN69,<br \/>\r\ntitle = {The Nature of Chemical Bonds from PNOF5 Calculations},<br \/>\r\nauthor = {J. M. Matxain and M. Piris and J. Uranga and X. Lopez and G. Merino and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000305131000011},<br \/>\r\ndoi = {10.1002\/cphc.201200205},<br \/>\r\nissn = {1439-4235},<br \/>\r\nyear  = {2012},<br \/>\r\ndate = {2012-01-01},<br \/>\r\nurldate = {2012-01-01},<br \/>\r\njournal = {Chemphyschem},<br \/>\r\nvolume = {13},<br \/>\r\nnumber = {9},<br \/>\r\npages = {2297-2303},<br \/>\r\nnote = {Matxain, Jon M. Piris, Mario Uranga, Jon Lopez, Xabier Merino, Gabriel Ugalde, Jesus M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Uranga, Jon\/ABC-3945-2021; Merino, Gabriel\/A-1046-2009 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Uranga, Jon\/0000-0002-1256-6656; <br \/>\r\n1439-7641},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('618','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_618\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000305131000011\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000305131000011\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000305131000011<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cphc.201200205\" title=\"Follow DOI:10.1002\/cphc.201200205\" target=\"_blank\">doi:10.1002\/cphc.201200205<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('618','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2011\">2011<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">98.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ludena, E. V.;  Echevarria, L.;  Ugalde, J. M.;  Lopez, X.;  Corella-Madueno, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('589','tp_links')\" style=\"cursor:pointer;\">Model for a Biexciton in a Lateral Quantum Dot Based on Exact Solutions for the Hookean H-2 Molecule. I. Theoretical Aspects<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Quantum Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 111, <\/span><span class=\"tp_pub_additional_number\">no. 7-8, <\/span><span class=\"tp_pub_additional_pages\">pp. 1808-1818, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-7608<\/span><span class=\"tp_pub_additional_note\">, (Ludena, E. V. Echevarria, L. Ugalde, J. M. Lopez, X. Corella-Madueno, A. \r\nEchevarria, Lorenzo\/A-6813-2009; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Echevarria, Lorenzo\/0000-0002-9872-1126; Ludena, Eduardo V.\/0000-0003-1381-7194 \r\nSi)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_589\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('589','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_589\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('589','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_589\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN128,<br \/>\r\ntitle = {Model for a Biexciton in a Lateral Quantum Dot Based on Exact Solutions for the Hookean H-2 Molecule. I. Theoretical Aspects},<br \/>\r\nauthor = {E. V. Ludena and L. Echevarria and J. M. Ugalde and X. Lopez and A. Corella-Madueno},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000288873300059},<br \/>\r\ndoi = {10.1002\/qua.22818},<br \/>\r\nissn = {0020-7608},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\njournal = {International Journal of Quantum Chemistry},<br \/>\r\nvolume = {111},<br \/>\r\nnumber = {7-8},<br \/>\r\npages = {1808-1818},<br \/>\r\nnote = {Ludena, E. V. Echevarria, L. Ugalde, J. M. Lopez, X. Corella-Madueno, A. <br \/>\r\nEchevarria, Lorenzo\/A-6813-2009; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Echevarria, Lorenzo\/0000-0002-9872-1126; Ludena, Eduardo V.\/0000-0003-1381-7194 <br \/>\r\nSi},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('589','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_589\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000288873300059\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000288873300059\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000288873300059<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/qua.22818\" title=\"Follow DOI:10.1002\/qua.22818\" target=\"_blank\">doi:10.1002\/qua.22818<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('589','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">97.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Lopez, X.;  Rezabal, E.;  Castillo, R.;  Marti, S.;  Moliner, V.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('648','tp_links')\" style=\"cursor:pointer;\">A QM\/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 105, <\/span><span class=\"tp_pub_additional_number\">no. 11, <\/span><span class=\"tp_pub_additional_pages\">pp. 1446-1456, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J. I. Lopez, X. Rezabal, E. Castillo, R. Marti, S. Moliner, V. Ugalde, J. M. \r\nASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Mujika, Jon\/H-7132-2012; Castillo, Raquel\/G-7769-2015; Mart\u00ed, Sergio\/G-7844-2015; Moliner, Vicent\/D-5499-2015; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Mujika, Jon\/0000-0002-4584-7497; Castillo, Raquel\/0000-0003-1597-1136; Mart\u00ed, Sergio\/0000-0002-1087-7143; Moliner, Vicent\/0000-0002-3665-3391; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1873-3344 \r\nSi)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_648\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('648','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_648\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('648','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_648\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN126,<br \/>\r\ntitle = {A QM\/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH},<br \/>\r\nauthor = {J. I. Mujika and X. Lopez and E. Rezabal and R. Castillo and S. Marti and V. Moliner and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000297565500012},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2011.07.019},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {105},<br \/>\r\nnumber = {11},<br \/>\r\npages = {1446-1456},<br \/>\r\nnote = {Mujika, J. I. Lopez, X. Rezabal, E. Castillo, R. Marti, S. Moliner, V. Ugalde, J. M. <br \/>\r\nASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Mujika, Jon\/H-7132-2012; Castillo, Raquel\/G-7769-2015; Mart\u00ed, Sergio\/G-7844-2015; Moliner, Vicent\/D-5499-2015; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Mujika, Jon\/0000-0002-4584-7497; Castillo, Raquel\/0000-0003-1597-1136; Mart\u00ed, Sergio\/0000-0002-1087-7143; Moliner, Vicent\/0000-0002-3665-3391; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1873-3344 <br \/>\r\nSi},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('648','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_648\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000297565500012\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000297565500012\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000297565500012<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2011.07.019\" title=\"Follow DOI:10.1016\/j.jinorgbio.2011.07.019\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2011.07.019<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('648','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">96.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Ruiperez, F.;  Infante, I.;  Ugalde, J. M.;  Exley, C.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('652','tp_links')\" style=\"cursor:pointer;\">Pro-oxidant Activity of Aluminum: Stabilization of the Aluminum Superoxide Radical Ion<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 115, <\/span><span class=\"tp_pub_additional_number\">no. 24, <\/span><span class=\"tp_pub_additional_pages\">pp. 6717-6723, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J. I. Ruiperez, F. Infante, I. Ugalde, J. M. Exley, C. Lopez, X. \r\nLopez, Xabier\/G-5690-2015; Infante, Ivan\/A-1912-2011; Ruiperez, Fernando\/H-9744-2013; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Infante, Ivan\/0000-0003-3467-9376; Ruiperez, Fernando\/0000-0002-5585-245X; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Exley, Christopher\/0000-0002-5116-7607)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_652\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('652','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_652\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('652','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_652\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN127,<br \/>\r\ntitle = {Pro-oxidant Activity of Aluminum: Stabilization of the Aluminum Superoxide Radical Ion},<br \/>\r\nauthor = {J. I. Mujika and F. Ruiperez and I. Infante and J. M. Ugalde and C. Exley and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000291709400049},<br \/>\r\ndoi = {10.1021\/jp203290b},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {115},<br \/>\r\nnumber = {24},<br \/>\r\npages = {6717-6723},<br \/>\r\nnote = {Mujika, J. I. Ruiperez, F. Infante, I. Ugalde, J. M. Exley, C. Lopez, X. <br \/>\r\nLopez, Xabier\/G-5690-2015; Infante, Ivan\/A-1912-2011; Ruiperez, Fernando\/H-9744-2013; Mujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Infante, Ivan\/0000-0003-3467-9376; Ruiperez, Fernando\/0000-0002-5585-245X; Mujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Exley, Christopher\/0000-0002-5116-7607},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('652','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_652\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000291709400049\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000291709400049\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000291709400049<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp203290b\" title=\"Follow DOI:10.1021\/jp203290b\" target=\"_blank\">doi:10.1021\/jp203290b<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('652','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">95.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Ugalde, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('654','tp_links')\" style=\"cursor:pointer;\">Computational evaluation of pK(a) for oxygenated side chain containing amino acids interacting with Aluminum<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Theoretical Chemistry Accounts, <\/span><span class=\"tp_pub_additional_volume\">vol. 128, <\/span><span class=\"tp_pub_additional_number\">no. 4-6, <\/span><span class=\"tp_pub_additional_pages\">pp. 477-484, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1432-881X<\/span><span class=\"tp_pub_additional_note\">, (Mujika, J. I. Ugalde, J. M. Lopez, X. \r\nMujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nMujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1432-2234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_654\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('654','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_654\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('654','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_654\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN130,<br \/>\r\ntitle = {Computational evaluation of pK(a) for oxygenated side chain containing amino acids interacting with Aluminum},<br \/>\r\nauthor = {J. I. Mujika and J. M. Ugalde and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000287748900010},<br \/>\r\ndoi = {10.1007\/s00214-010-0807-6},<br \/>\r\nissn = {1432-881X},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\njournal = {Theoretical Chemistry Accounts},<br \/>\r\nvolume = {128},<br \/>\r\nnumber = {4-6},<br \/>\r\npages = {477-484},<br \/>\r\nnote = {Mujika, J. I. Ugalde, J. M. Lopez, X. <br \/>\r\nMujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1432-2234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('654','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_654\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000287748900010\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000287748900010\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000287748900010<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-010-0807-6\" title=\"Follow DOI:10.1007\/s00214-010-0807-6\" target=\"_blank\">doi:10.1007\/s00214-010-0807-6<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('654','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">94.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Lopez, X.;  Ruiperez, F.;  Matxain, J. M.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('678','tp_links')\" style=\"cursor:pointer;\">A natural orbital functional for multiconfigurational states<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 134, <\/span><span class=\"tp_pub_additional_number\">no. 16, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, M. Lopez, X. Ruiperez, F. Matxain, J. M. Ugalde, J. M. \r\nUgalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Ruiperez, Fernando\/H-9744-2013 \r\nUgalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Ruiperez, Fernando\/0000-0002-5585-245X \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_678\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('678','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_678\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('678','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_678\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN129,<br \/>\r\ntitle = {A natural orbital functional for multiconfigurational states},<br \/>\r\nauthor = {M. Piris and X. Lopez and F. Ruiperez and J. M. Matxain and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000290047600003},<br \/>\r\ndoi = {10.1063\/1.3582792},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\nurldate = {2011-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {134},<br \/>\r\nnumber = {16},<br \/>\r\nnote = {Piris, M. Lopez, X. Ruiperez, F. Matxain, J. M. Ugalde, J. M. <br \/>\r\nUgalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Ruiperez, Fernando\/H-9744-2013 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Ruiperez, Fernando\/0000-0002-5585-245X <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('678','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_678\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000290047600003\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000290047600003\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000290047600003<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.3582792\" title=\"Follow DOI:10.1063\/1.3582792\" target=\"_blank\">doi:10.1063\/1.3582792<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('678','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">93.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ruiperez, F.;  Piris, M.;  Matxain, J. M.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('568','tp_links')\" style=\"cursor:pointer;\">Diradicals and Diradicaloids in Natural Orbital Functional Theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemphyschem, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 6, <\/span><span class=\"tp_pub_additional_pages\">pp. 1061-1065, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1439-4235<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Ruiperez, Fernando Piris, Mario Matxain, Jon M. Ugalde, Jesus M. \r\nUgalde, Jesus\/M-2771-2014; Ruiperez, Fernando\/H-9744-2013; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 \r\nUgalde, Jesus\/0000-0001-8980-9751; Ruiperez, Fernando\/0000-0002-5585-245X; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_568\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('568','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_568\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('568','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_568\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN83,<br \/>\r\ntitle = {Diradicals and Diradicaloids in Natural Orbital Functional Theory},<br \/>\r\nauthor = {X. Lopez and F. Ruiperez and M. Piris and J. M. Matxain and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000289264400007},<br \/>\r\ndoi = {10.1002\/cphc.201100136},<br \/>\r\nissn = {1439-4235},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\nurldate = {2011-01-01},<br \/>\r\njournal = {Chemphyschem},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {6},<br \/>\r\npages = {1061-1065},<br \/>\r\nnote = {Lopez, Xabier Ruiperez, Fernando Piris, Mario Matxain, Jon M. Ugalde, Jesus M. <br \/>\r\nUgalde, Jesus\/M-2771-2014; Ruiperez, Fernando\/H-9744-2013; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Ruiperez, Fernando\/0000-0002-5585-245X; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('568','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_568\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000289264400007\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000289264400007\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000289264400007<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cphc.201100136\" title=\"Follow DOI:10.1002\/cphc.201100136\" target=\"_blank\">doi:10.1002\/cphc.201100136<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('568','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">92.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Piris, M.;  Ruiperez, F.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('617','tp_links')\" style=\"cursor:pointer;\">Homolytic molecular dissociation in natural orbital functional theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 13, <\/span><span class=\"tp_pub_additional_number\">no. 45, <\/span><span class=\"tp_pub_additional_pages\">pp. 20129-20135, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Matxain, J. M. Piris, M. Ruiperez, F. Lopez, X. Ugalde, J. M. \r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Ruiperez, Fernando\/H-9744-2013; Lopez, Xabier\/G-5690-2015 \r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Ruiperez, Fernando\/0000-0002-5585-245X; Lopez, Xabier\/0000-0002-2711-3588 \r\n1463-9084)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_617\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('617','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_617\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('617','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_617\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN131,<br \/>\r\ntitle = {Homolytic molecular dissociation in natural orbital functional theory},<br \/>\r\nauthor = {J. M. Matxain and M. Piris and F. Ruiperez and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000296871500014},<br \/>\r\ndoi = {10.1039\/c1cp21696a},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\nurldate = {2011-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {13},<br \/>\r\nnumber = {45},<br \/>\r\npages = {20129-20135},<br \/>\r\nnote = {Matxain, J. M. Piris, M. Ruiperez, F. Lopez, X. Ugalde, J. M. <br \/>\r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Ruiperez, Fernando\/H-9744-2013; Lopez, Xabier\/G-5690-2015 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Ruiperez, Fernando\/0000-0002-5585-245X; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1463-9084},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('617','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_617\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000296871500014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000296871500014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000296871500014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c1cp21696a\" title=\"Follow DOI:10.1039\/c1cp21696a\" target=\"_blank\">doi:10.1039\/c1cp21696a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('617','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">91.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Piris, M.;  Matxain, J. M.;  Ruiperez, F.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('563','tp_links')\" style=\"cursor:pointer;\">Natural Orbital Functional Theory and Reactivity Studies of Diradical Rearrangements: Ethylene Torsion as a Case Study<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemphyschem, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 1673-1676, <\/span><span class=\"tp_pub_additional_year\">2011<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1439-4235<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Piris, Mario Matxain, Jon M. Ruiperez, Fernando Ugalde, Jesus M. \r\nRuiperez, Fernando\/H-9744-2013; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014 \r\nRuiperez, Fernando\/0000-0002-5585-245X; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1439-7641)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_563\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('563','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_563\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('563','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_563\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN80,<br \/>\r\ntitle = {Natural Orbital Functional Theory and Reactivity Studies of Diradical Rearrangements: Ethylene Torsion as a Case Study},<br \/>\r\nauthor = {X. Lopez and M. Piris and J. M. Matxain and F. Ruiperez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000292213000014},<br \/>\r\ndoi = {10.1002\/cphc.201100190},<br \/>\r\nissn = {1439-4235},<br \/>\r\nyear  = {2011},<br \/>\r\ndate = {2011-01-01},<br \/>\r\nurldate = {2011-01-01},<br \/>\r\njournal = {Chemphyschem},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {9},<br \/>\r\npages = {1673-1676},<br \/>\r\nnote = {Lopez, Xabier Piris, Mario Matxain, Jon M. Ruiperez, Fernando Ugalde, Jesus M. <br \/>\r\nRuiperez, Fernando\/H-9744-2013; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nRuiperez, Fernando\/0000-0002-5585-245X; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1439-7641},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('563','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_563\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000292213000014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000292213000014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000292213000014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cphc.201100190\" title=\"Follow DOI:10.1002\/cphc.201100190\" target=\"_blank\">doi:10.1002\/cphc.201100190<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('563','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2010\">2010<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">90.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Formoso, E.;  Matxain, J. M.;  Lopez, X.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('373','tp_links')\" style=\"cursor:pointer;\">Molecular Dynamics Simulation of Bovine Pancreatic Ribonuclease A-CpA and Transition State-like Complexes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 114, <\/span><span class=\"tp_pub_additional_number\">no. 21, <\/span><span class=\"tp_pub_additional_pages\">pp. 7371-7382, <\/span><span class=\"tp_pub_additional_year\">2010<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Formoso, Elena Matxain, Jon M. Lopez, Xabier York, Darrin M. \r\nFormoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014 \r\nFormoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; York, Darrin\/0000-0002-9193-7055 \r\n1520-5207)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_373\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('373','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_373\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('373','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_373\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN375,<br \/>\r\ntitle = {Molecular Dynamics Simulation of Bovine Pancreatic Ribonuclease A-CpA and Transition State-like Complexes},<br \/>\r\nauthor = {E. Formoso and J. M. Matxain and X. Lopez and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000278004300027},<br \/>\r\ndoi = {10.1021\/jp909004y},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2010},<br \/>\r\ndate = {2010-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {114},<br \/>\r\nnumber = {21},<br \/>\r\npages = {7371-7382},<br \/>\r\nnote = {Formoso, Elena Matxain, Jon M. Lopez, Xabier York, Darrin M. <br \/>\r\nFormoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nFormoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; York, Darrin\/0000-0002-9193-7055 <br \/>\r\n1520-5207},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('373','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_373\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000278004300027\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000278004300027\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000278004300027<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp909004y\" title=\"Follow DOI:10.1021\/jp909004y\" target=\"_blank\">doi:10.1021\/jp909004y<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('373','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">89.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Karasiev, V. V.;  Lopez, X.;  Ugalde, J. M.;  Ludena, E. V.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('521','tp_links')\" style=\"cursor:pointer;\">KINETIC ENERGY FUNCTIONALS: EXACT ONES FROM ANALYTIC MODEL WAVE FUNCTIONS AND APPROXIMATE ONES IN ORBITAL-FREE MOLECULAR DYNAMICS<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Modern Physics B, <\/span><span class=\"tp_pub_additional_volume\">vol. 24, <\/span><span class=\"tp_pub_additional_number\">no. 25-26, <\/span><span class=\"tp_pub_additional_pages\">pp. 5139-5151, <\/span><span class=\"tp_pub_additional_year\">2010<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0217-9792<\/span><span class=\"tp_pub_additional_note\">, (Karasiev, Valentin V. Lopez, Xabier Ugalde, Jesus M. Ludena, Eduardo V. \r\n33rd International Workshop on Condensed Matter Theories \r\nAug 16-22, 2009 \r\nQuito, ECUADOR \r\nSenacyt \r\nKarasiev, Valentin\/AAA-3006-2019; Lopez, Xabier\/G-5690-2015; Karasiev, Valentin V\/J-2519-2012; Ugalde, Jesus\/M-2771-2014; Ludena, Eduardo V\/ABE-4825-2021 \r\nKarasiev, Valentin\/0000-0003-3445-6797; Lopez, Xabier\/0000-0002-2711-3588; Karasiev, Valentin V\/0000-0003-3445-6797; Ugalde, Jesus\/0000-0001-8980-9751; Ludena, Eduardo V.\/0000-0003-1381-7194 \r\n1793-6578 \r\nSi)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_521\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('521','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_521\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('521','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_521\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN85,<br \/>\r\ntitle = {KINETIC ENERGY FUNCTIONALS: EXACT ONES FROM ANALYTIC MODEL WAVE FUNCTIONS AND APPROXIMATE ONES IN ORBITAL-FREE MOLECULAR DYNAMICS},<br \/>\r\nauthor = {V. V. Karasiev and X. Lopez and J. M. Ugalde and E. V. Ludena},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000287188500022},<br \/>\r\ndoi = {10.1142\/s0217979210057274},<br \/>\r\nissn = {0217-9792},<br \/>\r\nyear  = {2010},<br \/>\r\ndate = {2010-01-01},<br \/>\r\njournal = {International Journal of Modern Physics B},<br \/>\r\nvolume = {24},<br \/>\r\nnumber = {25-26},<br \/>\r\npages = {5139-5151},<br \/>\r\nnote = {Karasiev, Valentin V. Lopez, Xabier Ugalde, Jesus M. Ludena, Eduardo V. <br \/>\r\n33rd International Workshop on Condensed Matter Theories <br \/>\r\nAug 16-22, 2009 <br \/>\r\nQuito, ECUADOR <br \/>\r\nSenacyt <br \/>\r\nKarasiev, Valentin\/AAA-3006-2019; Lopez, Xabier\/G-5690-2015; Karasiev, Valentin V\/J-2519-2012; Ugalde, Jesus\/M-2771-2014; Ludena, Eduardo V\/ABE-4825-2021 <br \/>\r\nKarasiev, Valentin\/0000-0003-3445-6797; Lopez, Xabier\/0000-0002-2711-3588; Karasiev, Valentin V\/0000-0003-3445-6797; Ugalde, Jesus\/0000-0001-8980-9751; Ludena, Eduardo V.\/0000-0003-1381-7194 <br \/>\r\n1793-6578 <br \/>\r\nSi},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('521','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_521\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000287188500022\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000287188500022\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000287188500022<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1142\/s0217979210057274\" title=\"Follow DOI:10.1142\/s0217979210057274\" target=\"_blank\">doi:10.1142\/s0217979210057274<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('521','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">88.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Rezabal, E.;  Lopez, X.;  Ugalde, J. M.;  Gagliardi, L.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('620','tp_links')\" style=\"cursor:pointer;\">Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer (vol 128, 194315, 2008)<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 132, <\/span><span class=\"tp_pub_additional_number\">no. 13, <\/span><span class=\"tp_pub_additional_year\">2010<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Rezabal, Elixabete Lopez, Xabier Ugalde, Jesus M. Gagliardi, Laura \r\nUgalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Gagliardi, Laura\/S-3023-2017 \r\nUgalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; REZABAL ASTIGARRAGA, ELIXABETE\/0000-0003-0397-6140; Gagliardi, Laura\/0000-0001-5227-1396)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_620\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('620','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_620\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('620','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_620\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN90,<br \/>\r\ntitle = {Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer (vol 128, 194315, 2008)},<br \/>\r\nauthor = {J. M. Matxain and E. Rezabal and X. Lopez and J. M. Ugalde and L. Gagliardi},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000276972600050},<br \/>\r\ndoi = {10.1063\/1.3372793},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2010},<br \/>\r\ndate = {2010-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {132},<br \/>\r\nnumber = {13},<br \/>\r\nnote = {Matxain, Jon M. Rezabal, Elixabete Lopez, Xabier Ugalde, Jesus M. Gagliardi, Laura <br \/>\r\nUgalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Gagliardi, Laura\/S-3023-2017 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; REZABAL ASTIGARRAGA, ELIXABETE\/0000-0003-0397-6140; Gagliardi, Laura\/0000-0001-5227-1396},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('620','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_620\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000276972600050\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000276972600050\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000276972600050<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.3372793\" title=\"Follow DOI:10.1063\/1.3372793\" target=\"_blank\">doi:10.1063\/1.3372793<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('620','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">87.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('691','tp_links')\" style=\"cursor:pointer;\">Communication: The role of the positivity N-representability conditions in natural orbital functional theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 133, <\/span><span class=\"tp_pub_additional_number\">no. 11, <\/span><span class=\"tp_pub_additional_year\">2010<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. \r\nLopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_691\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('691','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_691\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('691','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_691\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN133,<br \/>\r\ntitle = {Communication: The role of the positivity N-representability conditions in natural orbital functional theory},<br \/>\r\nauthor = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000282047500001},<br \/>\r\ndoi = {10.1063\/1.3481578},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2010},<br \/>\r\ndate = {2010-01-01},<br \/>\r\nurldate = {2010-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {133},<br \/>\r\nnumber = {11},<br \/>\r\nnote = {Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('691','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_691\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000282047500001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000282047500001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000282047500001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.3481578\" title=\"Follow DOI:10.1063\/1.3481578\" target=\"_blank\">doi:10.1063\/1.3481578<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('691','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">86.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('692','tp_links')\" style=\"cursor:pointer;\">Communications: Accurate description of atoms and molecules by natural orbital functional theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 132, <\/span><span class=\"tp_pub_additional_number\">no. 3, <\/span><span class=\"tp_pub_additional_year\">2010<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_692\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('692','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_692\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('692','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_692\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN135,<br \/>\r\ntitle = {Communications: Accurate description of atoms and molecules by natural orbital functional theory},<br \/>\r\nauthor = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000273890800003},<br \/>\r\ndoi = {10.1063\/1.3298694},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2010},<br \/>\r\ndate = {2010-01-01},<br \/>\r\nurldate = {2010-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {132},<br \/>\r\nnumber = {3},<br \/>\r\nnote = {Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('692','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_692\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000273890800003\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000273890800003\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000273890800003<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.3298694\" title=\"Follow DOI:10.1063\/1.3298694\" target=\"_blank\">doi:10.1063\/1.3298694<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('692','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">85.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Piris, M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('616','tp_links')\" style=\"cursor:pointer;\">Complete basis set limit extrapolation calculations with PNOF3<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemical Physics Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 499, <\/span><span class=\"tp_pub_additional_number\">no. 1-3, <\/span><span class=\"tp_pub_additional_pages\">pp. 164-167, <\/span><span class=\"tp_pub_additional_year\">2010<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0009-2614<\/span><span class=\"tp_pub_additional_note\">, (Matxain, J. M. Piris, M. Lopez, X. Ugalde, J. M. \r\nLopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1873-4448)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_616\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('616','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_616\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('616','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_616\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN132,<br \/>\r\ntitle = {Complete basis set limit extrapolation calculations with PNOF3},<br \/>\r\nauthor = {J. M. Matxain and M. Piris and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000282698700034},<br \/>\r\ndoi = {10.1016\/j.cplett.2010.09.004},<br \/>\r\nissn = {0009-2614},<br \/>\r\nyear  = {2010},<br \/>\r\ndate = {2010-01-01},<br \/>\r\nurldate = {2010-01-01},<br \/>\r\njournal = {Chemical Physics Letters},<br \/>\r\nvolume = {499},<br \/>\r\nnumber = {1-3},<br \/>\r\npages = {164-167},<br \/>\r\nnote = {Matxain, J. M. Piris, M. Lopez, X. Ugalde, J. M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Piris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Piris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1873-4448},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('616','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_616\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000282698700034\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000282698700034\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000282698700034<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.cplett.2010.09.004\" title=\"Follow DOI:10.1016\/j.cplett.2010.09.004\" target=\"_blank\">doi:10.1016\/j.cplett.2010.09.004<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('616','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">84.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Piris, M.;  Matxain, J. M.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('564','tp_links')\" style=\"cursor:pointer;\">Performance of PNOF3 for reactivity studies: X BO and X CN isomerization reactions (X = H, Li) as a case study<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Chemistry Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 40, <\/span><span class=\"tp_pub_additional_pages\">pp. 12931-12934, <\/span><span class=\"tp_pub_additional_year\">2010<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1463-9076<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X. Piris, M. Matxain, J. M. Ugalde, J. M. \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_564\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('564','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_564\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('564','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_564\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN136,<br \/>\r\ntitle = {Performance of PNOF3 for reactivity studies: X BO and X CN isomerization reactions (X = H, Li) as a case study},<br \/>\r\nauthor = {X. Lopez and M. Piris and J. M. Matxain and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000282642800004},<br \/>\r\ndoi = {10.1039\/c003379k},<br \/>\r\nissn = {1463-9076},<br \/>\r\nyear  = {2010},<br \/>\r\ndate = {2010-01-01},<br \/>\r\nurldate = {2010-01-01},<br \/>\r\njournal = {Physical Chemistry Chemical Physics},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {40},<br \/>\r\npages = {12931-12934},<br \/>\r\nnote = {Lopez, X. Piris, M. Matxain, J. M. Ugalde, J. M. <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('564','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_564\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000282642800004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000282642800004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000282642800004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c003379k\" title=\"Follow DOI:10.1039\/c003379k\" target=\"_blank\">doi:10.1039\/c003379k<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('564','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2009\">2009<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">83.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Piris, M.;  Lopez, X.;  Ugaide, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('615','tp_links')\" style=\"cursor:pointer;\">Thermally Stable Solids Based on Endohedrally Doped ZnS Clusters<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemistry-a European Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 15, <\/span><span class=\"tp_pub_additional_number\">no. 20, <\/span><span class=\"tp_pub_additional_pages\">pp. 5138-5144, <\/span><span class=\"tp_pub_additional_year\">2009<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0947-6539<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Piris, Mario Lopez, Xabier Ugaide, Jesus M. \r\nMatxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953 \r\n1521-3765)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_615\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('615','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_615\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('615','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_615\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN333,<br \/>\r\ntitle = {Thermally Stable Solids Based on Endohedrally Doped ZnS Clusters},<br \/>\r\nauthor = {J. M. Matxain and M. Piris and X. Lopez and J. M. Ugaide},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000266292200023},<br \/>\r\ndoi = {10.1002\/chem.200802472},<br \/>\r\nissn = {0947-6539},<br \/>\r\nyear  = {2009},<br \/>\r\ndate = {2009-01-01},<br \/>\r\njournal = {Chemistry-a European Journal},<br \/>\r\nvolume = {15},<br \/>\r\nnumber = {20},<br \/>\r\npages = {5138-5144},<br \/>\r\nnote = {Matxain, Jon M. Piris, Mario Lopez, Xabier Ugaide, Jesus M. <br \/>\r\nMatxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010 <br \/>\r\nMatxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953 <br \/>\r\n1521-3765},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('615','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_615\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000266292200023\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000266292200023\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000266292200023<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/chem.200802472\" title=\"Follow DOI:10.1002\/chem.200802472\" target=\"_blank\">doi:10.1002\/chem.200802472<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('615','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">82.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Lopez, X.;  Mulholland, A. J.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('646','tp_links')\" style=\"cursor:pointer;\">Modeling Protein Splicing: Reaction Pathway for C-Terminal Splice and Intein Scission<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 113, <\/span><span class=\"tp_pub_additional_number\">no. 16, <\/span><span class=\"tp_pub_additional_pages\">pp. 5607-5616, <\/span><span class=\"tp_pub_additional_year\">2009<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Lopez, Xabier Mulholland, Adrian J. \r\nMujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015 \r\nMujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Mulholland, Adrian\/0000-0003-1015-4567 \r\n1520-5207)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_646\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('646','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_646\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('646','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_646\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN376,<br \/>\r\ntitle = {Modeling Protein Splicing: Reaction Pathway for C-Terminal Splice and Intein Scission},<br \/>\r\nauthor = {J. I. Mujika and X. Lopez and A. J. Mulholland},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000265269100032},<br \/>\r\ndoi = {10.1021\/jp808911p},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2009},<br \/>\r\ndate = {2009-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {113},<br \/>\r\nnumber = {16},<br \/>\r\npages = {5607-5616},<br \/>\r\nnote = {Mujika, Jon I. Lopez, Xabier Mulholland, Adrian J. <br \/>\r\nMujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Mulholland, Adrian\/0000-0003-1015-4567 <br \/>\r\n1520-5207},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('646','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_646\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000265269100032\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000265269100032\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000265269100032<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp808911p\" title=\"Follow DOI:10.1021\/jp808911p\" target=\"_blank\">doi:10.1021\/jp808911p<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('646','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">81.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('690','tp_links')\" style=\"cursor:pointer;\">Spin conserving natural orbital functional theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 131, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_year\">2009<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. \r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014 \r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_690\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('690','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_690\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('690','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_690\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN138,<br \/>\r\ntitle = {Spin conserving natural orbital functional theory},<br \/>\r\nauthor = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000267983100002},<br \/>\r\ndoi = {10.1063\/1.3180958},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2009},<br \/>\r\ndate = {2009-01-01},<br \/>\r\nurldate = {2009-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {131},<br \/>\r\nnumber = {2},<br \/>\r\nnote = {Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. <br \/>\r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('690','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_690\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000267983100002\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000267983100002\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000267983100002<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.3180958\" title=\"Follow DOI:10.1063\/1.3180958\" target=\"_blank\">doi:10.1063\/1.3180958<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('690','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">80.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Piris, M.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('253','tp_links')\" style=\"cursor:pointer;\">Sandwich Complexes of the Metalloaromatic eta(3)-Al3R3 Ligand<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 131, <\/span><span class=\"tp_pub_additional_number\">no. 20, <\/span><span class=\"tp_pub_additional_pages\">pp. 6949-+, <\/span><span class=\"tp_pub_additional_year\">2009<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Mercero, Jose M. Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010; Mercero, Jose\/E-6828-2010 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953; Mercero, Jose\/0000-0003-4857-6685)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_253\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('253','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_253\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('253','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_253\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN94,<br \/>\r\ntitle = {Sandwich Complexes of the Metalloaromatic eta(3)-Al3R3 Ligand},<br \/>\r\nauthor = {J. M. Mercero and M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000266484700031},<br \/>\r\ndoi = {10.1021\/ja8095043},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2009},<br \/>\r\ndate = {2009-01-01},<br \/>\r\nurldate = {2009-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {131},<br \/>\r\nnumber = {20},<br \/>\r\npages = {6949-+},<br \/>\r\nnote = {Mercero, Jose M. Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Piris, Mario\/E-7406-2010; Mercero, Jose\/E-6828-2010 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Piris, Mario\/0000-0003-0222-2953; Mercero, Jose\/0000-0003-4857-6685},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('253','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_253\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000266484700031\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000266484700031\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000266484700031<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja8095043\" title=\"Follow DOI:10.1021\/ja8095043\" target=\"_blank\">doi:10.1021\/ja8095043<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('253','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2008\">2008<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">79.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Formoso, E.;  Mercero, J. M.;  Piris, M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('229','tp_links')\" style=\"cursor:pointer;\">Magnetic Endohedral Transition-Metal-Doped Semiconduncting-Nanoclusters<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemistry-a European Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 14, <\/span><span class=\"tp_pub_additional_number\">no. 28, <\/span><span class=\"tp_pub_additional_pages\">pp. 8547-8554, <\/span><span class=\"tp_pub_additional_year\">2008<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0947-6539<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Formoso, Elena Mercero, Jose M. Piris, Mario Lopez, Xabier Ugalde, Jesus M. \r\nFormoso, Elena\/E-6834-2010; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 \r\nFormoso, Elena\/0000-0002-7106-3717; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 \r\n1521-3765)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_229\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('229','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_229\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('229','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_229\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN100,<br \/>\r\ntitle = {Magnetic Endohedral Transition-Metal-Doped Semiconduncting-Nanoclusters},<br \/>\r\nauthor = {J. M. Matxain and E. Formoso and J. M. Mercero and M. Piris and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000260035900016},<br \/>\r\ndoi = {10.1002\/chem.200800376},<br \/>\r\nissn = {0947-6539},<br \/>\r\nyear  = {2008},<br \/>\r\ndate = {2008-01-01},<br \/>\r\njournal = {Chemistry-a European Journal},<br \/>\r\nvolume = {14},<br \/>\r\nnumber = {28},<br \/>\r\npages = {8547-8554},<br \/>\r\nnote = {Matxain, Jon M. Formoso, Elena Mercero, Jose M. Piris, Mario Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nFormoso, Elena\/E-6834-2010; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nFormoso, Elena\/0000-0002-7106-3717; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1521-3765},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('229','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_229\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000260035900016\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000260035900016\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000260035900016<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/chem.200800376\" title=\"Follow DOI:10.1002\/chem.200800376\" target=\"_blank\">doi:10.1002\/chem.200800376<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('229','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">78.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Rezabal, E.;  Lopez, X.;  Ugalde, J. M.;  Gagliardi, L.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('619','tp_links')\" style=\"cursor:pointer;\">Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 128, <\/span><span class=\"tp_pub_additional_number\">no. 19, <\/span><span class=\"tp_pub_additional_year\">2008<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Rezabal, Elixabete Lopez, Xabier Ugalde, Jesus M. Gagliardi, Laura \r\nLopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Ugalde, Jesus\/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Gagliardi, Laura\/S-3023-2017 \r\nLopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Ugalde, Jesus\/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Gagliardi, Laura\/0000-0001-5227-1396)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_619\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('619','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_619\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('619','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_619\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN99,<br \/>\r\ntitle = {Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer},<br \/>\r\nauthor = {J. M. Matxain and E. Rezabal and X. Lopez and J. M. Ugalde and L. Gagliardi},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000256205200028},<br \/>\r\ndoi = {10.1063\/1.2920480},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2008},<br \/>\r\ndate = {2008-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {128},<br \/>\r\nnumber = {19},<br \/>\r\nnote = {Matxain, Jon M. Rezabal, Elixabete Lopez, Xabier Ugalde, Jesus M. Gagliardi, Laura <br \/>\r\nLopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014; Ugalde, Jesus\/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Gagliardi, Laura\/S-3023-2017 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Ugalde, Jesus\/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Gagliardi, Laura\/0000-0001-5227-1396},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('619','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_619\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000256205200028\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000256205200028\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000256205200028<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.2920480\" title=\"Follow DOI:10.1063\/1.2920480\" target=\"_blank\">doi:10.1063\/1.2920480<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('619','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">77.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Vara, Y.;  Bello, T.;  Aldaba, E.;  Arrieta, A.;  Pizarro, J. L.;  Arriortua, M. I.;  Lopez, X.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('805','tp_links')\" style=\"cursor:pointer;\">Trans-Stereoselectivity in the Reaction between Homophthalic Anhydride and Imines<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Organic Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 10, <\/span><span class=\"tp_pub_additional_number\">no. 21, <\/span><span class=\"tp_pub_additional_pages\">pp. 4759-4762, <\/span><span class=\"tp_pub_additional_year\">2008<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1523-7060<\/span><span class=\"tp_pub_additional_note\">, (Vara, Yosu Bello, Tamara Aldaba, Eneko Arrieta, Ana Pizarro, Jose L. Arriortua, Maria I. Lopez, Xabier Cossio, Fernando P. \r\nSANZ, Jos\u00e9 Luis PIZARRO\/G-1204-2016; Lopez, Xabier\/G-5690-2015; ARRIORTUA, MARIBEL I\/G-2416-2016 \r\nSANZ, Jos\u00e9 Luis PIZARRO\/0000-0003-4783-0944; Lopez, Xabier\/0000-0002-2711-3588; ARRIORTUA, MARIBEL I\/0000-0001-7562-2478; Arrieta, Ana Jesus\/0000-0002-0580-2542; Cossio, Fernando P.\/0000-0002-4526-2122; ALDABA AREVALO, ENEKO\/0000-0001-7079-8685 \r\n1523-7052)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_805\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('805','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_805\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('805','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_805\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN377,<br \/>\r\ntitle = {Trans-Stereoselectivity in the Reaction between Homophthalic Anhydride and Imines},<br \/>\r\nauthor = {Y. Vara and T. Bello and E. Aldaba and A. Arrieta and J. L. Pizarro and M. I. Arriortua and X. Lopez and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000260534500013},<br \/>\r\ndoi = {10.1021\/ol801757r},<br \/>\r\nissn = {1523-7060},<br \/>\r\nyear  = {2008},<br \/>\r\ndate = {2008-01-01},<br \/>\r\njournal = {Organic Letters},<br \/>\r\nvolume = {10},<br \/>\r\nnumber = {21},<br \/>\r\npages = {4759-4762},<br \/>\r\nnote = {Vara, Yosu Bello, Tamara Aldaba, Eneko Arrieta, Ana Pizarro, Jose L. Arriortua, Maria I. Lopez, Xabier Cossio, Fernando P. <br \/>\r\nSANZ, Jos\u00e9 Luis PIZARRO\/G-1204-2016; Lopez, Xabier\/G-5690-2015; ARRIORTUA, MARIBEL I\/G-2416-2016 <br \/>\r\nSANZ, Jos\u00e9 Luis PIZARRO\/0000-0003-4783-0944; Lopez, Xabier\/0000-0002-2711-3588; ARRIORTUA, MARIBEL I\/0000-0001-7562-2478; Arrieta, Ana Jesus\/0000-0002-0580-2542; Cossio, Fernando P.\/0000-0002-4526-2122; ALDABA AREVALO, ENEKO\/0000-0001-7079-8685 <br \/>\r\n1523-7052},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('805','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_805\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000260534500013\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000260534500013\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000260534500013<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ol801757r\" title=\"Follow DOI:10.1021\/ol801757r\" target=\"_blank\">doi:10.1021\/ol801757r<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('805','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">76.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('680','tp_links')\" style=\"cursor:pointer;\">Correlation holes for the helium dimer<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 128, <\/span><span class=\"tp_pub_additional_number\">no. 13, <\/span><span class=\"tp_pub_additional_year\">2008<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, M. Lopez, X. Ugalde, J. M. \r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_680\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('680','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_680\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('680','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_680\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN140,<br \/>\r\ntitle = {Correlation holes for the helium dimer},<br \/>\r\nauthor = {M. Piris and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000254778800002},<br \/>\r\ndoi = {10.1063\/1.2883959},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2008},<br \/>\r\ndate = {2008-01-01},<br \/>\r\nurldate = {2008-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {128},<br \/>\r\nnumber = {13},<br \/>\r\nnote = {Piris, M. Lopez, X. Ugalde, J. M. <br \/>\r\nPiris, Mario\/E-7406-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('680','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_680\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000254778800002\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000254778800002\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000254778800002<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.2883959\" title=\"Follow DOI:10.1063\/1.2883959\" target=\"_blank\">doi:10.1063\/1.2883959<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('680','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">75.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('682','tp_links')\" style=\"cursor:pointer;\">Natural orbital functional description of van der Waals interactions. A case study of the effect of the basis set for the helium dimer<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Quantum Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 108, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 1660-1663, <\/span><span class=\"tp_pub_additional_year\">2008<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-7608<\/span><span class=\"tp_pub_additional_note\">, (Piris, Mario Lopez, Xabier Ugalde, Jesus M. \r\n33rd Congress of Theoretical Chemists of Latin Expression \r\nSep 17-21, 2007 \r\nUniv Havana, Havana, CUBA \r\nPiris, Mario\/E-7406-2010; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nPiris, Mario\/0000-0003-0222-2953; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 \r\n1097-461x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_682\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('682','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_682\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('682','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_682\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN97,<br \/>\r\ntitle = {Natural orbital functional description of van der Waals interactions. A case study of the effect of the basis set for the helium dimer},<br \/>\r\nauthor = {M. Piris and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000256689900007},<br \/>\r\ndoi = {10.1002\/qua.21572},<br \/>\r\nissn = {0020-7608},<br \/>\r\nyear  = {2008},<br \/>\r\ndate = {2008-01-01},<br \/>\r\nurldate = {2008-01-01},<br \/>\r\njournal = {International Journal of Quantum Chemistry},<br \/>\r\nvolume = {108},<br \/>\r\nnumber = {10},<br \/>\r\npages = {1660-1663},<br \/>\r\nnote = {Piris, Mario Lopez, Xabier Ugalde, Jesus M. <br \/>\r\n33rd Congress of Theoretical Chemists of Latin Expression <br \/>\r\nSep 17-21, 2007 <br \/>\r\nUniv Havana, Havana, CUBA <br \/>\r\nPiris, Mario\/E-7406-2010; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 <br \/>\r\n1097-461x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('682','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_682\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000256689900007\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000256689900007\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000256689900007<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/qua.21572\" title=\"Follow DOI:10.1002\/qua.21572\" target=\"_blank\">doi:10.1002\/qua.21572<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('682','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">74.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('681','tp_links')\" style=\"cursor:pointer;\">Electron-pair density relaxation holes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 128, <\/span><span class=\"tp_pub_additional_number\">no. 21, <\/span><span class=\"tp_pub_additional_year\">2008<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, Mario Lopez, Xabier Ugalde, Jesus M. \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_681\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('681','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_681\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('681','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_681\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN98,<br \/>\r\ntitle = {Electron-pair density relaxation holes},<br \/>\r\nauthor = {M. Piris and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000256527500006},<br \/>\r\ndoi = {10.1063\/1.2937456},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2008},<br \/>\r\ndate = {2008-01-01},<br \/>\r\nurldate = {2008-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {128},<br \/>\r\nnumber = {21},<br \/>\r\nnote = {Piris, Mario Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('681','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_681\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000256527500006\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000256527500006\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000256527500006<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.2937456\" title=\"Follow DOI:10.1063\/1.2937456\" target=\"_blank\">doi:10.1063\/1.2937456<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('681','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2007\">2007<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">73.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Eriksson, L. A.;  Mercero, J. M.;  Lopez, X.;  Piris, M.;  Ugalde, J. M.;  Poater, J.;  Matito, E.;  Sola, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1071','tp_links')\" style=\"cursor:pointer;\">New solids based on B12N12 fullerenes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">JOURNAL OF PHYSICAL CHEMISTRY C, <\/span><span class=\"tp_pub_additional_volume\">vol. 111, <\/span><span class=\"tp_pub_additional_number\">no. 36, <\/span><span class=\"tp_pub_additional_pages\">pp. 13354-13360, <\/span><span class=\"tp_pub_additional_year\">2007<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1932-7447<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_1071\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1071','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1071\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1071','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1071\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:000249329600009,<br \/>\r\ntitle = {New solids based on B12N12 fullerenes},<br \/>\r\nauthor = {J. M. Matxain and L. A. Eriksson and J. M. Mercero and X. Lopez and M. Piris and J. M. Ugalde and J. Poater and E. Matito and M. Sola},<br \/>\r\ndoi = {10.1021\/jp073773j},<br \/>\r\nissn = {1932-7447},<br \/>\r\nyear  = {2007},<br \/>\r\ndate = {2007-09-01},<br \/>\r\njournal = {JOURNAL OF PHYSICAL CHEMISTRY C},<br \/>\r\nvolume = {111},<br \/>\r\nnumber = {36},<br \/>\r\npages = {13354-13360},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1071','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1071\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp073773j\" title=\"Follow DOI:10.1021\/jp073773j\" target=\"_blank\">doi:10.1021\/jp073773j<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1071','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">72.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, J. M.;  Piris, M.;  Formoso, E.;  Mercero, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('235','tp_links')\" style=\"cursor:pointer;\">Endohedral stannaspherenes Mn@Sn-12 and its dimer: Ferromagnetic or antiferromagnetic?<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemphyschem, <\/span><span class=\"tp_pub_additional_volume\">vol. 8, <\/span><span class=\"tp_pub_additional_number\">no. 14, <\/span><span class=\"tp_pub_additional_pages\">pp. 2096-2099, <\/span><span class=\"tp_pub_additional_year\">2007<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1439-4235<\/span><span class=\"tp_pub_additional_note\">, (Matxain, Jon M. Piris, Mario Formoso, Elena Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. \r\nPiris, Mario\/E-7406-2010; Formoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014 \r\nPiris, Mario\/0000-0003-0222-2953; Formoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1439-7641)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_235\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('235','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_235\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('235','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_235\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN101,<br \/>\r\ntitle = {Endohedral stannaspherenes Mn@Sn-12 and its dimer: Ferromagnetic or antiferromagnetic?},<br \/>\r\nauthor = {J. M. Matxain and M. Piris and E. Formoso and J. M. Mercero and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000250253500010},<br \/>\r\ndoi = {10.1002\/cphc.200700428},<br \/>\r\nissn = {1439-4235},<br \/>\r\nyear  = {2007},<br \/>\r\ndate = {2007-01-01},<br \/>\r\njournal = {Chemphyschem},<br \/>\r\nvolume = {8},<br \/>\r\nnumber = {14},<br \/>\r\npages = {2096-2099},<br \/>\r\nnote = {Matxain, Jon M. Piris, Mario Formoso, Elena Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nPiris, Mario\/E-7406-2010; Formoso, Elena\/E-6834-2010; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Formoso, Elena\/0000-0002-7106-3717; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1439-7641},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('235','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_235\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000250253500010\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000250253500010\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000250253500010<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cphc.200700428\" title=\"Follow DOI:10.1002\/cphc.200700428\" target=\"_blank\">doi:10.1002\/cphc.200700428<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('235','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">71.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Rezabal, E.;  Mercero, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('268','tp_links')\" style=\"cursor:pointer;\">A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 101, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 1192-1200, <\/span><span class=\"tp_pub_additional_year\">2007<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Rezabal, Elixabete Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. \r\n7th Keele Meeting on Aluminium \r\nFeb 24-28, 2007 \r\nYucatan, MEXICO \r\nLopez, Xabier\/G-5690-2015; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751 \r\n1873-3344)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_268\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('268','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_268\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('268','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_268\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN103,<br \/>\r\ntitle = {A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities},<br \/>\r\nauthor = {E. Rezabal and J. M. Mercero and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000249966200003},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2007.06.010},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2007},<br \/>\r\ndate = {2007-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {101},<br \/>\r\nnumber = {9},<br \/>\r\npages = {1192-1200},<br \/>\r\nnote = {Rezabal, Elixabete Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\n7th Keele Meeting on Aluminium <br \/>\r\nFeb 24-28, 2007 <br \/>\r\nYucatan, MEXICO <br \/>\r\nLopez, Xabier\/G-5690-2015; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751 <br \/>\r\n1873-3344},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('268','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_268\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000249966200003\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000249966200003\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000249966200003<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2007.06.010\" title=\"Follow DOI:10.1016\/j.jinorgbio.2007.06.010\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2007.06.010<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('268','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">70.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Rezabal, E.;  Mercero, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('269','tp_links')\" style=\"cursor:pointer;\">Protein side chains facilitate Mg\/Al exchange in model protein binding sites<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemphyschem, <\/span><span class=\"tp_pub_additional_volume\">vol. 8, <\/span><span class=\"tp_pub_additional_number\">no. 14, <\/span><span class=\"tp_pub_additional_pages\">pp. 2119-2124, <\/span><span class=\"tp_pub_additional_year\">2007<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1439-4235<\/span><span class=\"tp_pub_additional_note\">, (Rezabal, Elixabete Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. \r\nMercero, Jose\/E-6828-2010; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nMercero, Jose\/0000-0003-4857-6685; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1439-7641)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_269\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('269','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_269\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('269','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_269\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN102,<br \/>\r\ntitle = {Protein side chains facilitate Mg\/Al exchange in model protein binding sites},<br \/>\r\nauthor = {E. Rezabal and J. M. Mercero and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000250253500014},<br \/>\r\ndoi = {10.1002\/cphc.200700335},<br \/>\r\nissn = {1439-4235},<br \/>\r\nyear  = {2007},<br \/>\r\ndate = {2007-01-01},<br \/>\r\njournal = {Chemphyschem},<br \/>\r\nvolume = {8},<br \/>\r\nnumber = {14},<br \/>\r\npages = {2119-2124},<br \/>\r\nnote = {Rezabal, Elixabete Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nMercero, Jose\/E-6828-2010; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMercero, Jose\/0000-0003-4857-6685; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1439-7641},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('269','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_269\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000250253500014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000250253500014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000250253500014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cphc.200700335\" title=\"Follow DOI:10.1002\/cphc.200700335\" target=\"_blank\">doi:10.1002\/cphc.200700335<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('269','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">69.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Sebastian, E. S.;  Matxain, J. M.;  Eriksson, L. A.;  Stote, R. H.;  Dejaegere, A.;  Cossio, F. P.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('756','tp_links')\" style=\"cursor:pointer;\">Metal ion dependent adhesion sites in integrins: A combined DFT and QMC study on Mn2+<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 111, <\/span><span class=\"tp_pub_additional_number\">no. 30, <\/span><span class=\"tp_pub_additional_pages\">pp. 9099-9103, <\/span><span class=\"tp_pub_additional_year\">2007<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Sebastian, Eider San Matxain, Jon M. Eriksson, Leif A. Stote, Roland H. Dejaegere, Annick Cossio, Fernando P. Lopez, Xabier \r\nSan Sebastian, Eider\/S-2637-2018; Eriksson, Leif A\/D-1226-2012; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014 \r\nSan Sebastian, Eider\/0000-0001-9263-9626; Eriksson, Leif A\/0000-0001-5654-3109; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Cossio, Fernando P.\/0000-0002-4526-2122 \r\n1520-5207)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_756\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('756','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_756\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('756','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_756\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN378,<br \/>\r\ntitle = {Metal ion dependent adhesion sites in integrins: A combined DFT and QMC study on Mn2+},<br \/>\r\nauthor = {E. S. Sebastian and J. M. Matxain and L. A. Eriksson and R. H. Stote and A. Dejaegere and F. P. Cossio and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000248315700057},<br \/>\r\ndoi = {10.1021\/jp071065s},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2007},<br \/>\r\ndate = {2007-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {111},<br \/>\r\nnumber = {30},<br \/>\r\npages = {9099-9103},<br \/>\r\nnote = {Sebastian, Eider San Matxain, Jon M. Eriksson, Leif A. Stote, Roland H. Dejaegere, Annick Cossio, Fernando P. Lopez, Xabier <br \/>\r\nSan Sebastian, Eider\/S-2637-2018; Eriksson, Leif A\/D-1226-2012; Lopez, Xabier\/G-5690-2015; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nSan Sebastian, Eider\/0000-0001-9263-9626; Eriksson, Leif A\/0000-0001-5654-3109; Lopez, Xabier\/0000-0002-2711-3588; Matxain, Jon M.\/0000-0002-6342-0649; Cossio, Fernando P.\/0000-0002-4526-2122 <br \/>\r\n1520-5207},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('756','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_756\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000248315700057\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000248315700057\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000248315700057<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp071065s\" title=\"Follow DOI:10.1021\/jp071065s\" target=\"_blank\">doi:10.1021\/jp071065s<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('756','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">68.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Piris, M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('679','tp_links')\" style=\"cursor:pointer;\">Dispersion interactions within the Piris natural orbital functional theory: The helium dimer<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 126, <\/span><span class=\"tp_pub_additional_number\">no. 21, <\/span><span class=\"tp_pub_additional_year\">2007<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Piris, M. Lopez, X. Ugalde, J. M. \r\nPiris, Mario\/E-7406-2010; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nPiris, Mario\/0000-0003-0222-2953; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_679\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('679','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_679\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('679','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_679\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN144,<br \/>\r\ntitle = {Dispersion interactions within the Piris natural orbital functional theory: The helium dimer},<br \/>\r\nauthor = {M. Piris and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000247106600007},<br \/>\r\ndoi = {10.1063\/1.2743019},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2007},<br \/>\r\ndate = {2007-01-01},<br \/>\r\nurldate = {2007-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {126},<br \/>\r\nnumber = {21},<br \/>\r\nnote = {Piris, M. Lopez, X. Ugalde, J. M. <br \/>\r\nPiris, Mario\/E-7406-2010; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nPiris, Mario\/0000-0003-0222-2953; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('679','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_679\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000247106600007\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000247106600007\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000247106600007<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.2743019\" title=\"Follow DOI:10.1063\/1.2743019\" target=\"_blank\">doi:10.1063\/1.2743019<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('679','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2006\">2006<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">67.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Giese, T. J.;  Gregersen, B. A.;  Liu, Y.;  Nam, K.;  Mayaan, E.;  Moser, A.;  Range, K.;  Faza, A. N.;  Lopez, C. S.;  Lera, A. R.;  Schaftenaar, G.;  Lopez, X.;  Lee, T. S.;  Karypis, G.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('397','tp_links')\" style=\"cursor:pointer;\">QCRNA 1.0: A database of quantum calculations for RNA catalysis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Molecular Graphics &amp; Modelling, <\/span><span class=\"tp_pub_additional_volume\">vol. 25, <\/span><span class=\"tp_pub_additional_number\">no. 4, <\/span><span class=\"tp_pub_additional_pages\">pp. 423-433, <\/span><span class=\"tp_pub_additional_year\">2006<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1093-3263<\/span><span class=\"tp_pub_additional_note\">, (Giese, Timothy J. Gregersen, Brent A. Liu, Yun Nam, Kwangho Mayaan, Evelyn Moser, Adam Range, Kevin Faza, Alla Nieto Lopez, Carlos Silva de Lera, Angel Rodriguez Schaftenaar, Gijs Lopez, Xabier Lee, Tai-Sung Karypis, George York, Darrin M. \r\nLopez, Xabier\/G-5690-2015; Faza, Olalla Nieto\/B-1260-2008; Lee, Tai-Sung\/HCH-7775-2022; Schaftenaar, Gijs\/Q-8665-2018 \r\nLopez, Xabier\/0000-0002-2711-3588; Faza, Olalla Nieto\/0000-0001-8754-1341; Lee, Tai-Sung\/0000-0003-2110-2279; Silva Lopez, Carlos\/0000-0003-4955-9844; Range, Kevin\/0000-0002-8013-0686; York, Darrin\/0000-0002-9193-7055)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_397\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('397','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_397\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('397','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_397\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN379,<br \/>\r\ntitle = {QCRNA 1.0: A database of quantum calculations for RNA catalysis},<br \/>\r\nauthor = {T. J. Giese and B. A. Gregersen and Y. Liu and K. Nam and E. Mayaan and A. Moser and K. Range and A. N. Faza and C. S. Lopez and A. R. Lera and G. Schaftenaar and X. Lopez and T. S. Lee and G. Karypis and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000242797400004},<br \/>\r\ndoi = {10.1016\/j.jmgm.2006.02.011},<br \/>\r\nissn = {1093-3263},<br \/>\r\nyear  = {2006},<br \/>\r\ndate = {2006-01-01},<br \/>\r\njournal = {Journal of Molecular Graphics & Modelling},<br \/>\r\nvolume = {25},<br \/>\r\nnumber = {4},<br \/>\r\npages = {423-433},<br \/>\r\nnote = {Giese, Timothy J. Gregersen, Brent A. Liu, Yun Nam, Kwangho Mayaan, Evelyn Moser, Adam Range, Kevin Faza, Alla Nieto Lopez, Carlos Silva de Lera, Angel Rodriguez Schaftenaar, Gijs Lopez, Xabier Lee, Tai-Sung Karypis, George York, Darrin M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Faza, Olalla Nieto\/B-1260-2008; Lee, Tai-Sung\/HCH-7775-2022; Schaftenaar, Gijs\/Q-8665-2018 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Faza, Olalla Nieto\/0000-0001-8754-1341; Lee, Tai-Sung\/0000-0003-2110-2279; Silva Lopez, Carlos\/0000-0003-4955-9844; Range, Kevin\/0000-0002-8013-0686; York, Darrin\/0000-0002-9193-7055},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('397','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_397\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000242797400004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000242797400004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000242797400004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jmgm.2006.02.011\" title=\"Follow DOI:10.1016\/j.jmgm.2006.02.011\" target=\"_blank\">doi:10.1016\/j.jmgm.2006.02.011<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('397','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">66.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Dejaegere, A.;  Leclerc, F.;  York, D. M.;  Karplus, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('557','tp_links')\" style=\"cursor:pointer;\">Nucleophilic attack on phosphate diesters: A density functional study of in-line reactivity in dianionic, monoanionic, and neutral systems<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 110, <\/span><span class=\"tp_pub_additional_number\">no. 23, <\/span><span class=\"tp_pub_additional_pages\">pp. 11525-11539, <\/span><span class=\"tp_pub_additional_year\">2006<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Dejaegere, Annick Leclerc, Fabrice York, Darrin M. Karplus, Martin \r\nLopez, Xabier\/G-5690-2015; Leclerc, Fabrice\/A-5891-2011 \r\nLopez, Xabier\/0000-0002-2711-3588; Leclerc, Fabrice\/0000-0002-5641-1525; York, Darrin\/0000-0002-9193-7055)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_557\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('557','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_557\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('557','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_557\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN382,<br \/>\r\ntitle = {Nucleophilic attack on phosphate diesters: A density functional study of in-line reactivity in dianionic, monoanionic, and neutral systems},<br \/>\r\nauthor = {X. Lopez and A. Dejaegere and F. Leclerc and D. M. York and M. Karplus},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000238102800073},<br \/>\r\ndoi = {10.1021\/jp0603942},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2006},<br \/>\r\ndate = {2006-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {110},<br \/>\r\nnumber = {23},<br \/>\r\npages = {11525-11539},<br \/>\r\nnote = {Lopez, Xabier Dejaegere, Annick Leclerc, Fabrice York, Darrin M. Karplus, Martin <br \/>\r\nLopez, Xabier\/G-5690-2015; Leclerc, Fabrice\/A-5891-2011 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Leclerc, Fabrice\/0000-0002-5641-1525; York, Darrin\/0000-0002-9193-7055},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('557','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_557\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000238102800073\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000238102800073\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000238102800073<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp0603942\" title=\"Follow DOI:10.1021\/jp0603942\" target=\"_blank\">doi:10.1021\/jp0603942<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('557','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">65.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ugalde, J. M.;  Echevarria, L.;  Ludena, E. V.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('576','tp_links')\" style=\"cursor:pointer;\">Exact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Review A, <\/span><span class=\"tp_pub_additional_volume\">vol. 74, <\/span><span class=\"tp_pub_additional_number\">no. 4, <\/span><span class=\"tp_pub_additional_year\">2006<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1050-2947<\/span><span class=\"tp_pub_additional_note\">, (Lopez, Xabier Ugalde, Jesus M. Echevarria, Lorenzo Ludena, Eduardo V. \r\nEchevarria, Lorenzo\/A-6813-2009; Ludena, Eduardo V\/ABE-4825-2021; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Echevarria, Lorenzo\/0000-0002-9872-1126; Ludena, Eduardo V.\/0000-0003-1381-7194 \r\n1094-1622)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_576\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('576','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_576\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('576','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_576\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN109,<br \/>\r\ntitle = {Exact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses},<br \/>\r\nauthor = {X. Lopez and J. M. Ugalde and L. Echevarria and E. V. Ludena},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000241723100071},<br \/>\r\ndoi = {10.1103\/PhysRevA.74.042504},<br \/>\r\nissn = {1050-2947},<br \/>\r\nyear  = {2006},<br \/>\r\ndate = {2006-01-01},<br \/>\r\njournal = {Physical Review A},<br \/>\r\nvolume = {74},<br \/>\r\nnumber = {4},<br \/>\r\nnote = {Lopez, Xabier Ugalde, Jesus M. Echevarria, Lorenzo Ludena, Eduardo V. <br \/>\r\nEchevarria, Lorenzo\/A-6813-2009; Ludena, Eduardo V\/ABE-4825-2021; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Echevarria, Lorenzo\/0000-0002-9872-1126; Ludena, Eduardo V.\/0000-0003-1381-7194 <br \/>\r\n1094-1622},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('576','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_576\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000241723100071\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000241723100071\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000241723100071<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1103\/PhysRevA.74.042504\" title=\"Follow DOI:10.1103\/PhysRevA.74.042504\" target=\"_blank\">doi:10.1103\/PhysRevA.74.042504<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('576','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">64.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Formoso, E.;  Mercero, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('260','tp_links')\" style=\"cursor:pointer;\">Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bond<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 110, <\/span><span class=\"tp_pub_additional_number\">no. 30, <\/span><span class=\"tp_pub_additional_pages\">pp. 15000-15011, <\/span><span class=\"tp_pub_additional_year\">2006<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Formoso, Elena Mercero, Jose M. Lopez, Xabier \r\nMercero, Jose\/E-6828-2010; Mujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015; Formoso, Elena\/E-6834-2010 \r\nMercero, Jose\/0000-0003-4857-6685; Mujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Formoso, Elena\/0000-0002-7106-3717 \r\n1520-5207)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_260\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('260','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_260\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('260','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_260\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN381,<br \/>\r\ntitle = {Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bond},<br \/>\r\nauthor = {J. I. Mujika and E. Formoso and J. M. Mercero and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000239309500066},<br \/>\r\ndoi = {10.1021\/jp0604037},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2006},<br \/>\r\ndate = {2006-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {110},<br \/>\r\nnumber = {30},<br \/>\r\npages = {15000-15011},<br \/>\r\nnote = {Mujika, Jon I. Formoso, Elena Mercero, Jose M. Lopez, Xabier <br \/>\r\nMercero, Jose\/E-6828-2010; Mujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015; Formoso, Elena\/E-6834-2010 <br \/>\r\nMercero, Jose\/0000-0003-4857-6685; Mujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Formoso, Elena\/0000-0002-7106-3717 <br \/>\r\n1520-5207},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('260','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_260\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000239309500066\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000239309500066\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000239309500066<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp0604037\" title=\"Follow DOI:10.1021\/jp0604037\" target=\"_blank\">doi:10.1021\/jp0604037<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('260','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">63.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Matxain, J. M.;  Eriksson, L. A.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('650','tp_links')\" style=\"cursor:pointer;\">Resonance structures of the amide bond: The advantages of planarity<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemistry-a European Journal, <\/span><span class=\"tp_pub_additional_volume\">vol. 12, <\/span><span class=\"tp_pub_additional_number\">no. 27, <\/span><span class=\"tp_pub_additional_pages\">pp. 7215-7224, <\/span><span class=\"tp_pub_additional_year\">2006<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0947-6539<\/span><span class=\"tp_pub_additional_note\">, (Mujika, Jon I. Matxain, Jon M. Eriksson, Leif A. Lopez, Xabier \r\nLopez, Xabier\/G-5690-2015; Eriksson, Leif A\/D-1226-2012; Matxain, Jon M.\/J-8184-2014; Mujika, Jon\/H-7132-2012 \r\nLopez, Xabier\/0000-0002-2711-3588; Eriksson, Leif A\/0000-0001-5654-3109; Matxain, Jon M.\/0000-0002-6342-0649; Mujika, Jon\/0000-0002-4584-7497 \r\n1521-3765)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_650\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('650','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_650\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('650','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_650\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN380,<br \/>\r\ntitle = {Resonance structures of the amide bond: The advantages of planarity},<br \/>\r\nauthor = {J. I. Mujika and J. M. Matxain and L. A. Eriksson and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000240858400019},<br \/>\r\ndoi = {10.1002\/chem.200600052},<br \/>\r\nissn = {0947-6539},<br \/>\r\nyear  = {2006},<br \/>\r\ndate = {2006-01-01},<br \/>\r\njournal = {Chemistry-a European Journal},<br \/>\r\nvolume = {12},<br \/>\r\nnumber = {27},<br \/>\r\npages = {7215-7224},<br \/>\r\nnote = {Mujika, Jon I. Matxain, Jon M. Eriksson, Leif A. Lopez, Xabier <br \/>\r\nLopez, Xabier\/G-5690-2015; Eriksson, Leif A\/D-1226-2012; Matxain, Jon M.\/J-8184-2014; Mujika, Jon\/H-7132-2012 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Eriksson, Leif A\/0000-0001-5654-3109; Matxain, Jon M.\/0000-0002-6342-0649; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1521-3765},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('650','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_650\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000240858400019\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000240858400019\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000240858400019<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/chem.200600052\" title=\"Follow DOI:10.1002\/chem.200600052\" target=\"_blank\">doi:10.1002\/chem.200600052<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('650','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">62.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Rezabal, E.;  Mercero, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('267','tp_links')\" style=\"cursor:pointer;\">A study of the coordination shell of aluminum(III) and magnesium(II) in model protein of the complex formation and environments: Thermodynamics metal exchange reactions<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Inorganic Biochemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 100, <\/span><span class=\"tp_pub_additional_number\">no. 3, <\/span><span class=\"tp_pub_additional_pages\">pp. 374-384, <\/span><span class=\"tp_pub_additional_year\">2006<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0162-0134<\/span><span class=\"tp_pub_additional_note\">, (Rezabal, E Mercero, JM Lopez, X Ugalde, JM \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140 \r\n1873-3344)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_267\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('267','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_267\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('267','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_267\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN148,<br \/>\r\ntitle = {A study of the coordination shell of aluminum(III) and magnesium(II) in model protein of the complex formation and environments: Thermodynamics metal exchange reactions},<br \/>\r\nauthor = {E. Rezabal and J. M. Mercero and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000236059800007},<br \/>\r\ndoi = {10.1016\/j.jinorgbio.2005.12.007},<br \/>\r\nissn = {0162-0134},<br \/>\r\nyear  = {2006},<br \/>\r\ndate = {2006-01-01},<br \/>\r\njournal = {Journal of Inorganic Biochemistry},<br \/>\r\nvolume = {100},<br \/>\r\nnumber = {3},<br \/>\r\npages = {374-384},<br \/>\r\nnote = {Rezabal, E Mercero, JM Lopez, X Ugalde, JM <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140 <br \/>\r\n1873-3344},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('267','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_267\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000236059800007\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000236059800007\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000236059800007<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2005.12.007\" title=\"Follow DOI:10.1016\/j.jinorgbio.2005.12.007\" target=\"_blank\">doi:10.1016\/j.jinorgbio.2005.12.007<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('267','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">61.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Sebastian, E. San;  Mercero, J. M.;  Stote, R. H.;  Dejaegere, A.;  Cossio, F. P.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('270','tp_links')\" style=\"cursor:pointer;\">On the affinity regulation of the metal-ion-dependent adhesion sites in integrins<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 128, <\/span><span class=\"tp_pub_additional_number\">no. 11, <\/span><span class=\"tp_pub_additional_pages\">pp. 3554-3563, <\/span><span class=\"tp_pub_additional_year\">2006<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (San Sebastian, E Mercero, JM Stote, RH Dejaegere, A Cossio, FP Lopez, X \r\nLopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; San Sebastian, Eider\/S-2637-2018 \r\nLopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; San Sebastian, Eider\/0000-0001-9263-9626; Cossio, Fernando P.\/0000-0002-4526-2122 \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_270\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('270','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_270\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('270','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_270\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN383,<br \/>\r\ntitle = {On the affinity regulation of the metal-ion-dependent adhesion sites in integrins},<br \/>\r\nauthor = {E. San Sebastian and J. M. Mercero and R. H. Stote and A. Dejaegere and F. P. Cossio and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000236299700037},<br \/>\r\ndoi = {10.1021\/ja054142a},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2006},<br \/>\r\ndate = {2006-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {128},<br \/>\r\nnumber = {11},<br \/>\r\npages = {3554-3563},<br \/>\r\nnote = {San Sebastian, E Mercero, JM Stote, RH Dejaegere, A Cossio, FP Lopez, X <br \/>\r\nLopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; San Sebastian, Eider\/S-2637-2018 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; San Sebastian, Eider\/0000-0001-9263-9626; Cossio, Fernando P.\/0000-0002-4526-2122 <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('270','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_270\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000236299700037\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000236299700037\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000236299700037<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja054142a\" title=\"Follow DOI:10.1021\/ja054142a\" target=\"_blank\">doi:10.1021\/ja054142a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('270','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2005\">2005<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">60.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Liu, Y.;  Gregersen, B. A.;  Lopez, X.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('550','tp_links')\" style=\"cursor:pointer;\">Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: Insight into thio effects in RNA transesterification<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry B, <\/span><span class=\"tp_pub_additional_volume\">vol. 109, <\/span><span class=\"tp_pub_additional_number\">no. 42, <\/span><span class=\"tp_pub_additional_pages\">pp. 19987-20003, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6106<\/span><span class=\"tp_pub_additional_note\">, (Liu, Y Gregersen, BA Lopez, X York, DM \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_550\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('550','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_550\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('550','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_550\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN384,<br \/>\r\ntitle = {Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: Insight into thio effects in RNA transesterification},<br \/>\r\nauthor = {Y. Liu and B. A. Gregersen and X. Lopez and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000232857900059},<br \/>\r\ndoi = {10.1021\/jp053146z},<br \/>\r\nissn = {1520-6106},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry B},<br \/>\r\nvolume = {109},<br \/>\r\nnumber = {42},<br \/>\r\npages = {19987-20003},<br \/>\r\nnote = {Liu, Y Gregersen, BA Lopez, X York, DM <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('550','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_550\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000232857900059\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000232857900059\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000232857900059<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp053146z\" title=\"Follow DOI:10.1021\/jp053146z\" target=\"_blank\">doi:10.1021\/jp053146z<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('550','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">59.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Liu, Y.;  Lopez, X.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('551','tp_links')\" style=\"cursor:pointer;\">Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemical Communications, <\/span><span class=\"tp_pub_additional_number\">no. 31, <\/span><span class=\"tp_pub_additional_pages\">pp. 3909-3911, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1359-7345<\/span><span class=\"tp_pub_additional_note\">, (Liu, Y Lopez, X York, DM \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055 \r\n1364-548x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_551\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('551','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_551\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('551','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_551\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN387,<br \/>\r\ntitle = {Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory},<br \/>\r\nauthor = {Y. Liu and X. Lopez and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000231131800004},<br \/>\r\ndoi = {10.1039\/b502568k},<br \/>\r\nissn = {1359-7345},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\njournal = {Chemical Communications},<br \/>\r\nnumber = {31},<br \/>\r\npages = {3909-3911},<br \/>\r\nnote = {Liu, Y Lopez, X York, DM <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055 <br \/>\r\n1364-548x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('551','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_551\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000231131800004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000231131800004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000231131800004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/b502568k\" title=\"Follow DOI:10.1039\/b502568k\" target=\"_blank\">doi:10.1039\/b502568k<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('551','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">58.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Marques, M. A. L.;  Castro, A.;  Rubio, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('559','tp_links')\" style=\"cursor:pointer;\">Optical absorption of the blue fluorescent protein: A first-principles study<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 127, <\/span><span class=\"tp_pub_additional_number\">no. 35, <\/span><span class=\"tp_pub_additional_pages\">pp. 12329-12337, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Marques, MAL Castro, A Rubio, A \r\nCastro, Alberto\/C-2557-2008; Marques, Miguel A. L.\/A-7807-2008; Lopez, Xabier\/G-5690-2015; Marques, Miguel A. L.\/AAO-9914-2021; Rubio, Angel\/A-5507-2008; Octopus, TDDFT Code\/E-2400-2011 \r\nCastro, Alberto\/0000-0002-9253-7926; Marques, Miguel A. L.\/0000-0003-0170-8222; Lopez, Xabier\/0000-0002-2711-3588; Marques, Miguel A. L.\/0000-0003-0170-8222; Rubio, Angel\/0000-0003-2060-3151; \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_559\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('559','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_559\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('559','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_559\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN385,<br \/>\r\ntitle = {Optical absorption of the blue fluorescent protein: A first-principles study},<br \/>\r\nauthor = {X. Lopez and M. A. L. Marques and A. Castro and A. Rubio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000231637100058},<br \/>\r\ndoi = {10.1021\/ja050935l},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {127},<br \/>\r\nnumber = {35},<br \/>\r\npages = {12329-12337},<br \/>\r\nnote = {Lopez, X Marques, MAL Castro, A Rubio, A <br \/>\r\nCastro, Alberto\/C-2557-2008; Marques, Miguel A. L.\/A-7807-2008; Lopez, Xabier\/G-5690-2015; Marques, Miguel A. L.\/AAO-9914-2021; Rubio, Angel\/A-5507-2008; Octopus, TDDFT Code\/E-2400-2011 <br \/>\r\nCastro, Alberto\/0000-0002-9253-7926; Marques, Miguel A. L.\/0000-0003-0170-8222; Lopez, Xabier\/0000-0002-2711-3588; Marques, Miguel A. L.\/0000-0003-0170-8222; Rubio, Angel\/0000-0003-2060-3151; <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('559','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_559\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000231637100058\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000231637100058\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000231637100058<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja050935l\" title=\"Follow DOI:10.1021\/ja050935l\" target=\"_blank\">doi:10.1021\/ja050935l<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('559','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">57.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ugalde, J. M.;  Ludena, E. V.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('577','tp_links')\" style=\"cursor:pointer;\">Extracular densities of the non-Born-Oppenheimer Hookean H-2 molecule<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemical Physics Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 412, <\/span><span class=\"tp_pub_additional_number\">no. 4-6, <\/span><span class=\"tp_pub_additional_pages\">pp. 381-385, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0009-2614<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Ugalde, JM Ludena, EV \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ludena, Eduardo V.\/0000-0003-1381-7194 \r\n1873-4448)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_577\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('577','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_577\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('577','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_577\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN149,<br \/>\r\ntitle = {Extracular densities of the non-Born-Oppenheimer Hookean H-2 molecule},<br \/>\r\nauthor = {X. Lopez and J. M. Ugalde and E. V. Ludena},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000231660800027},<br \/>\r\ndoi = {10.1016\/j.cplett.2005.07.015},<br \/>\r\nissn = {0009-2614},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\njournal = {Chemical Physics Letters},<br \/>\r\nvolume = {412},<br \/>\r\nnumber = {4-6},<br \/>\r\npages = {381-385},<br \/>\r\nnote = {Lopez, X Ugalde, JM Ludena, EV <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ludena, Eduardo V.\/0000-0003-1381-7194 <br \/>\r\n1873-4448},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('577','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_577\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000231660800027\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000231660800027\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000231660800027<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.cplett.2005.07.015\" title=\"Follow DOI:10.1016\/j.cplett.2005.07.015\" target=\"_blank\">doi:10.1016\/j.cplett.2005.07.015<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('577','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">56.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ludena, E. V.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('590','tp_links')\" style=\"cursor:pointer;\">Non-Born-Oppenheimer treatment of the H-2 Hookean molecule<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 123, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Ludena, EV Lopez, X Ugalde, JM \r\nUgalde, Jesus\/M-2771-2014; Ludena, Eduardo V\/ABE-4825-2021; Lopez, Xabier\/G-5690-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ludena, Eduardo V.\/0000-0003-1381-7194 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_590\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('590','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_590\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('590','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_590\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN151,<br \/>\r\ntitle = {Non-Born-Oppenheimer treatment of the H-2 Hookean molecule},<br \/>\r\nauthor = {E. V. Ludena and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000230653700004},<br \/>\r\ndoi = {10.1063\/1.1940611},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {123},<br \/>\r\nnumber = {2},<br \/>\r\nnote = {Ludena, EV Lopez, X Ugalde, JM <br \/>\r\nUgalde, Jesus\/M-2771-2014; Ludena, Eduardo V\/ABE-4825-2021; Lopez, Xabier\/G-5690-2015 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Ludena, Eduardo V.\/0000-0003-1381-7194 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('590','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_590\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000230653700004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000230653700004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000230653700004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.1940611\" title=\"Follow DOI:10.1063\/1.1940611\" target=\"_blank\">doi:10.1063\/1.1940611<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('590','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_inproceedings\"><td class=\"tp_pub_number\">55.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ludena, E. V.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('591','tp_links')\" style=\"cursor:pointer;\">Pair densities for the Hooke and Hooke-Calogero models of the non-Born-Oppenheimer hydrogen molecule<\/a> (<span class=\"tp_pub_type tp_  inproceedings\">Proceedings Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_booktitle\">International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), <\/span><span class=\"tp_pub_additional_pages\">pp. 1217-1221, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_isbn\">ISBN: 90-6764-443-9<\/span><span class=\"tp_pub_additional_note\">, (Ludena, Eduardo V. Lopez, Xabier Ugalde, Jesus M. \r\nLopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 \r\n1573-4196)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_591\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('591','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_591\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('591','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_591\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@inproceedings{RN112,<br \/>\r\ntitle = {Pair densities for the Hooke and Hooke-Calogero models of the non-Born-Oppenheimer hydrogen molecule},<br \/>\r\nauthor = {E. V. Ludena and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000238054400303},<br \/>\r\nisbn = {90-6764-443-9},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\nbooktitle = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005)},<br \/>\r\nvolume = {4A-4B},<br \/>\r\npages = {1217-1221},<br \/>\r\nseries = {Lecture Series on Computer and Computational Sciences},<br \/>\r\nnote = {Ludena, Eduardo V. Lopez, Xabier Ugalde, Jesus M. <br \/>\r\nLopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751 <br \/>\r\n1573-4196},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {inproceedings}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('591','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_591\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000238054400303\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000238054400303\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000238054400303<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('591','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">54.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Matxain, J. M.;  Lopez, X.;  York, D. M.;  Largo, A.;  Eriksson, L. A.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('249','tp_links')\" style=\"cursor:pointer;\">Theoretical methods that help understanding the structure and reactivity of gas phase ions<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Mass Spectrometry, <\/span><span class=\"tp_pub_additional_volume\">vol. 240, <\/span><span class=\"tp_pub_additional_number\">no. 1, <\/span><span class=\"tp_pub_additional_pages\">pp. 37-99, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1387-3806<\/span><span class=\"tp_pub_additional_note\">, (Mercero, JM Matxain, JM Lopez, X York, DM Largo, A Eriksson, LA Ugalde, JM \r\nMatxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Largo, Antonio\/K-7746-2014; Eriksson, Leif A\/D-1226-2012; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/HGU-9456-2022 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Largo, Antonio\/0000-0003-4959-4850; Eriksson, Leif A\/0000-0001-5654-3109; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; York, Darrin\/0000-0002-9193-7055 \r\n1873-2798)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_249\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('249','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_249\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('249','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_249\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN155,<br \/>\r\ntitle = {Theoretical methods that help understanding the structure and reactivity of gas phase ions},<br \/>\r\nauthor = {J. M. Mercero and J. M. Matxain and X. Lopez and D. M. York and A. Largo and L. A. Eriksson and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000226258800005},<br \/>\r\ndoi = {10.1016\/j.ijms.2004.09.018},<br \/>\r\nissn = {1387-3806},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\njournal = {International Journal of Mass Spectrometry},<br \/>\r\nvolume = {240},<br \/>\r\nnumber = {1},<br \/>\r\npages = {37-99},<br \/>\r\nnote = {Mercero, JM Matxain, JM Lopez, X York, DM Largo, A Eriksson, LA Ugalde, JM <br \/>\r\nMatxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015; Largo, Antonio\/K-7746-2014; Eriksson, Leif A\/D-1226-2012; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/HGU-9456-2022 <br \/>\r\nMatxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588; Largo, Antonio\/0000-0003-4959-4850; Eriksson, Leif A\/0000-0001-5654-3109; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; York, Darrin\/0000-0002-9193-7055 <br \/>\r\n1873-2798},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('249','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_249\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000226258800005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000226258800005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000226258800005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.ijms.2004.09.018\" title=\"Follow DOI:10.1016\/j.ijms.2004.09.018\" target=\"_blank\">doi:10.1016\/j.ijms.2004.09.018<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('249','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">53.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Mercero, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('262','tp_links')\" style=\"cursor:pointer;\">Water-promoted hydrolysis of a highly twisted amide: Rate acceleration caused by the twist of the amide bond<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 127, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 4445-4453, <\/span><span class=\"tp_pub_additional_year\">2005<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Mujika, JI Mercero, JM Lopez, X \r\nMercero, Jose\/E-6828-2010; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 \r\nMercero, Jose\/0000-0003-4857-6685; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_262\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('262','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_262\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('262','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_262\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN386,<br \/>\r\ntitle = {Water-promoted hydrolysis of a highly twisted amide: Rate acceleration caused by the twist of the amide bond},<br \/>\r\nauthor = {J. I. Mujika and J. M. Mercero and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000227895500065},<br \/>\r\ndoi = {10.1021\/ja044873v},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2005},<br \/>\r\ndate = {2005-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {127},<br \/>\r\nnumber = {12},<br \/>\r\npages = {4445-4453},<br \/>\r\nnote = {Mujika, JI Mercero, JM Lopez, X <br \/>\r\nMercero, Jose\/E-6828-2010; Lopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 <br \/>\r\nMercero, Jose\/0000-0003-4857-6685; Lopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('262','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_262\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000227895500065\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000227895500065\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000227895500065<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja044873v\" title=\"Follow DOI:10.1021\/ja044873v\" target=\"_blank\">doi:10.1021\/ja044873v<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('262','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2004\">2004<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">52.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gregersen, B. A.;  Lopez, X.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('466','tp_links')\" style=\"cursor:pointer;\">Hybrid QM\/MM study of thio effects in transphosphorylation reactions: The role of solvation<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 126, <\/span><span class=\"tp_pub_additional_number\">no. 24, <\/span><span class=\"tp_pub_additional_pages\">pp. 7504-7513, <\/span><span class=\"tp_pub_additional_year\">2004<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Gregersen, BA Lopez, X York, DM \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_466\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('466','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_466\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('466','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_466\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN389,<br \/>\r\ntitle = {Hybrid QM\/MM study of thio effects in transphosphorylation reactions: The role of solvation},<br \/>\r\nauthor = {B. A. Gregersen and X. Lopez and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000222120900030},<br \/>\r\ndoi = {10.1021\/ja031815l},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2004},<br \/>\r\ndate = {2004-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {126},<br \/>\r\nnumber = {24},<br \/>\r\npages = {7504-7513},<br \/>\r\nnote = {Gregersen, BA Lopez, X York, DM <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('466','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_466\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000222120900030\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000222120900030\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000222120900030<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja031815l\" title=\"Follow DOI:10.1021\/ja031815l\" target=\"_blank\">doi:10.1021\/ja031815l<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('466','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">51.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, C. S.;  Faza, A. N.;  Gregersen, B. A.;  Lopez, X.;  Lera, A. R.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('552','tp_links')\" style=\"cursor:pointer;\">Pseudorotation of natural and chemically modified biological phosphoranes: Implications for RNA catalysis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemphyschem, <\/span><span class=\"tp_pub_additional_volume\">vol. 5, <\/span><span class=\"tp_pub_additional_number\">no. 7, <\/span><span class=\"tp_pub_additional_pages\">pp. 1045-1049, <\/span><span class=\"tp_pub_additional_year\">2004<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1439-4235<\/span><span class=\"tp_pub_additional_note\">, (Lopez, CS Faza, AN Gregersen, BA Lopez, X de Lera, AR York, DM \r\nLopez, Xabier\/G-5690-2015; Faza, Olalla Nieto\/B-1260-2008 \r\nLopez, Xabier\/0000-0002-2711-3588; Faza, Olalla Nieto\/0000-0001-8754-1341; Rodriguez de Lera, Angel\/0000-0001-6896-9078; York, Darrin\/0000-0002-9193-7055; Silva Lopez, Carlos\/0000-0003-4955-9844 \r\n1439-7641)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_552\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('552','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_552\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('552','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_552\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN388,<br \/>\r\ntitle = {Pseudorotation of natural and chemically modified biological phosphoranes: Implications for RNA catalysis},<br \/>\r\nauthor = {C. S. Lopez and A. N. Faza and B. A. Gregersen and X. Lopez and A. R. Lera and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000222887500017},<br \/>\r\ndoi = {10.1002\/cphc.200400091},<br \/>\r\nissn = {1439-4235},<br \/>\r\nyear  = {2004},<br \/>\r\ndate = {2004-01-01},<br \/>\r\njournal = {Chemphyschem},<br \/>\r\nvolume = {5},<br \/>\r\nnumber = {7},<br \/>\r\npages = {1045-1049},<br \/>\r\nnote = {Lopez, CS Faza, AN Gregersen, BA Lopez, X de Lera, AR York, DM <br \/>\r\nLopez, Xabier\/G-5690-2015; Faza, Olalla Nieto\/B-1260-2008 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Faza, Olalla Nieto\/0000-0001-8754-1341; Rodriguez de Lera, Angel\/0000-0001-6896-9078; York, Darrin\/0000-0002-9193-7055; Silva Lopez, Carlos\/0000-0003-4955-9844 <br \/>\r\n1439-7641},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('552','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_552\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000222887500017\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000222887500017\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000222887500017<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cphc.200400091\" title=\"Follow DOI:10.1002\/cphc.200400091\" target=\"_blank\">doi:10.1002\/cphc.200400091<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('552','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">50.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ludena, E. V.;  Ugalde, J. M.;  Lopez, X.;  Fernandez-Rico, J.;  Ramirez, G.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('592','tp_links')\" style=\"cursor:pointer;\">A reinterpretation of the nature of the Fermi hole<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 120, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_pages\">pp. 540-547, <\/span><span class=\"tp_pub_additional_year\">2004<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0021-9606<\/span><span class=\"tp_pub_additional_note\">, (Ludena, EV Ugalde, JM Lopez, X Fernandez-Rico, J Ramirez, G \r\nLopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021; Ugalde, Jesus\/M-2771-2014; Ramirez, Guillermo\/L-2523-2013 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Ramirez, Guillermo\/0000-0002-6957-1050; Ludena, Eduardo V.\/0000-0003-1381-7194 \r\n1089-7690)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_592\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('592','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_592\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('592','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_592\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN162,<br \/>\r\ntitle = {A reinterpretation of the nature of the Fermi hole},<br \/>\r\nauthor = {E. V. Ludena and J. M. Ugalde and X. Lopez and J. Fernandez-Rico and G. Ramirez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000187718200004},<br \/>\r\ndoi = {10.1063\/1.1630024},<br \/>\r\nissn = {0021-9606},<br \/>\r\nyear  = {2004},<br \/>\r\ndate = {2004-01-01},<br \/>\r\njournal = {Journal of Chemical Physics},<br \/>\r\nvolume = {120},<br \/>\r\nnumber = {2},<br \/>\r\npages = {540-547},<br \/>\r\nnote = {Ludena, EV Ugalde, JM Lopez, X Fernandez-Rico, J Ramirez, G <br \/>\r\nLopez, Xabier\/G-5690-2015; Ludena, Eduardo V\/ABE-4825-2021; Ugalde, Jesus\/M-2771-2014; Ramirez, Guillermo\/L-2523-2013 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Ramirez, Guillermo\/0000-0002-6957-1050; Ludena, Eduardo V.\/0000-0003-1381-7194 <br \/>\r\n1089-7690},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('592','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_592\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000187718200004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000187718200004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000187718200004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/1.1630024\" title=\"Follow DOI:10.1063\/1.1630024\" target=\"_blank\">doi:10.1063\/1.1630024<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('592','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">49.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Matxain, J. M.;  Rezabal, E.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('250','tp_links')\" style=\"cursor:pointer;\">The first solvation shell of aluminum(III) and magnesium(II) cations in a protein model environment<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Quantum Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 98, <\/span><span class=\"tp_pub_additional_number\">no. 4, <\/span><span class=\"tp_pub_additional_pages\">pp. 409-424, <\/span><span class=\"tp_pub_additional_year\">2004<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-7608<\/span><span class=\"tp_pub_additional_note\">, (Mercero, JM Matxain, JM Rezabal, E Lopez, X Ugalde, JM \r\nTheoretical Biophysics Symposium \r\nMar, 2003 \r\nDonosita, SPAIN \r\nASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Matxain, Jon M.\/J-8184-2014; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Matxain, Jon M.\/0000-0002-6342-0649; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1097-461x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_250\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('250','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_250\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('250','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_250\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN158,<br \/>\r\ntitle = {The first solvation shell of aluminum(III) and magnesium(II) cations in a protein model environment},<br \/>\r\nauthor = {J. M. Mercero and J. M. Matxain and E. Rezabal and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000221181700009},<br \/>\r\ndoi = {10.1002\/qua.20075},<br \/>\r\nissn = {0020-7608},<br \/>\r\nyear  = {2004},<br \/>\r\ndate = {2004-01-01},<br \/>\r\njournal = {International Journal of Quantum Chemistry},<br \/>\r\nvolume = {98},<br \/>\r\nnumber = {4},<br \/>\r\npages = {409-424},<br \/>\r\nnote = {Mercero, JM Matxain, JM Rezabal, E Lopez, X Ugalde, JM <br \/>\r\nTheoretical Biophysics Symposium <br \/>\r\nMar, 2003 <br \/>\r\nDonosita, SPAIN <br \/>\r\nASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Matxain, Jon M.\/J-8184-2014; Mercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Matxain, Jon M.\/0000-0002-6342-0649; Mercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1097-461x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('250','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_250\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000221181700009\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000221181700009\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000221181700009<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/qua.20075\" title=\"Follow DOI:10.1002\/qua.20075\" target=\"_blank\">doi:10.1002\/qua.20075<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('250','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">48.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Range, K.;  McGrath, M. J.;  Lopez, X.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('710','tp_links')\" style=\"cursor:pointer;\">The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solution<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 126, <\/span><span class=\"tp_pub_additional_number\">no. 6, <\/span><span class=\"tp_pub_additional_pages\">pp. 1654-1665, <\/span><span class=\"tp_pub_additional_year\">2004<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Range, K McGrath, MJ Lopez, X York, DM \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055; McGrath, Matthew\/0000-0003-3431-8466; Range, Kevin\/0000-0002-8013-0686 \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_710\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('710','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_710\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('710','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_710\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN391,<br \/>\r\ntitle = {The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solution},<br \/>\r\nauthor = {K. Range and M. J. McGrath and X. Lopez and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000188926600033},<br \/>\r\ndoi = {10.1021\/ja0356277},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2004},<br \/>\r\ndate = {2004-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {126},<br \/>\r\nnumber = {6},<br \/>\r\npages = {1654-1665},<br \/>\r\nnote = {Range, K McGrath, MJ Lopez, X York, DM <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055; McGrath, Matthew\/0000-0003-3431-8466; Range, Kevin\/0000-0002-8013-0686 <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('710','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_710\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000188926600033\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000188926600033\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000188926600033<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja0356277\" title=\"Follow DOI:10.1021\/ja0356277\" target=\"_blank\">doi:10.1021\/ja0356277<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('710','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">47.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Zubia, A.;  Cossio, F. P.;  Morao, L. A.;  Rieumont, M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('830','tp_links')\" style=\"cursor:pointer;\">Quantitative evaluation of the catalytic activity of dendrimers with only one active center at the core: Application to the nitroaldol (Henry) reaction<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 126, <\/span><span class=\"tp_pub_additional_number\">no. 16, <\/span><span class=\"tp_pub_additional_pages\">pp. 5243-5252, <\/span><span class=\"tp_pub_additional_year\">2004<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Zubia, A Cossio, FP Morao, LA Rieumont, M Lopez, X \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122; ZUBIA OLASCOAGA, AIZPEA\/0000-0002-0657-801X \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_830\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('830','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_830\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('830','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_830\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN390,<br \/>\r\ntitle = {Quantitative evaluation of the catalytic activity of dendrimers with only one active center at the core: Application to the nitroaldol (Henry) reaction},<br \/>\r\nauthor = {A. Zubia and F. P. Cossio and L. A. Morao and M. Rieumont and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000220957900054},<br \/>\r\ndoi = {10.1021\/ja039888s},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2004},<br \/>\r\ndate = {2004-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {126},<br \/>\r\nnumber = {16},<br \/>\r\npages = {5243-5252},<br \/>\r\nnote = {Zubia, A Cossio, FP Morao, LA Rieumont, M Lopez, X <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122; ZUBIA OLASCOAGA, AIZPEA\/0000-0002-0657-801X <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('830','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_830\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000220957900054\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000220957900054\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000220957900054<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja039888s\" title=\"Follow DOI:10.1021\/ja039888s\" target=\"_blank\">doi:10.1021\/ja039888s<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('830','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2003\">2003<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">46.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Dinner, A. R.;  Lopez, X.;  Karplus, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('352','tp_links')\" style=\"cursor:pointer;\">A charge-scaling method to treat solvent in QM\/MM simulations<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Theoretical Chemistry Accounts, <\/span><span class=\"tp_pub_additional_volume\">vol. 109, <\/span><span class=\"tp_pub_additional_number\">no. 3, <\/span><span class=\"tp_pub_additional_pages\">pp. 118-124, <\/span><span class=\"tp_pub_additional_year\">2003<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1432-881X<\/span><span class=\"tp_pub_additional_note\">, (Dinner, AR Lopez, X Karplus, M \r\nSymposium on Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials held at the 222nd American-Chemical-Society National Meeeting \r\nAug 26-30, 2001 \r\nChicago, illinois \r\nAmer Chem Soc \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_352\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('352','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_352\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('352','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_352\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN395,<br \/>\r\ntitle = {A charge-scaling method to treat solvent in QM\/MM simulations},<br \/>\r\nauthor = {A. R. Dinner and X. Lopez and M. Karplus},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000183038700004},<br \/>\r\ndoi = {10.1007\/s00214-002-0417-z},<br \/>\r\nissn = {1432-881X},<br \/>\r\nyear  = {2003},<br \/>\r\ndate = {2003-01-01},<br \/>\r\njournal = {Theoretical Chemistry Accounts},<br \/>\r\nvolume = {109},<br \/>\r\nnumber = {3},<br \/>\r\npages = {118-124},<br \/>\r\nnote = {Dinner, AR Lopez, X Karplus, M <br \/>\r\nSymposium on Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials held at the 222nd American-Chemical-Society National Meeeting <br \/>\r\nAug 26-30, 2001 <br \/>\r\nChicago, illinois <br \/>\r\nAmer Chem Soc <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('352','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_352\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000183038700004\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000183038700004\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000183038700004<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-002-0417-z\" title=\"Follow DOI:10.1007\/s00214-002-0417-z\" target=\"_blank\">doi:10.1007\/s00214-002-0417-z<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('352','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">45.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Mujika, J. I.;  Blackburn, G. M.;  Karplus, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('560','tp_links')\" style=\"cursor:pointer;\">Alkaline hydrolysis of amide bonds: Effect of bond twist and nitrogen pyramidalization<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 107, <\/span><span class=\"tp_pub_additional_number\">no. 13, <\/span><span class=\"tp_pub_additional_pages\">pp. 2304-2315, <\/span><span class=\"tp_pub_additional_year\">2003<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Mujika, JI Blackburn, GM Karplus, M \r\nLopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 \r\nLopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 \r\n1520-5215)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_560\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('560','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_560\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('560','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_560\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN394,<br \/>\r\ntitle = {Alkaline hydrolysis of amide bonds: Effect of bond twist and nitrogen pyramidalization},<br \/>\r\nauthor = {X. Lopez and J. I. Mujika and G. M. Blackburn and M. Karplus},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000181921900021},<br \/>\r\ndoi = {10.1021\/jp022014s},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {2003},<br \/>\r\ndate = {2003-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {107},<br \/>\r\nnumber = {13},<br \/>\r\npages = {2304-2315},<br \/>\r\nnote = {Lopez, X Mujika, JI Blackburn, GM Karplus, M <br \/>\r\nLopez, Xabier\/G-5690-2015; Mujika, Jon\/H-7132-2012 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Mujika, Jon\/0000-0002-4584-7497 <br \/>\r\n1520-5215},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('560','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_560\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000181921900021\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000181921900021\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000181921900021<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp022014s\" title=\"Follow DOI:10.1021\/jp022014s\" target=\"_blank\">doi:10.1021\/jp022014s<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('560','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">44.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('579','tp_links')\" style=\"cursor:pointer;\">Parameterization of semiempirical methods to treat nucleophilic attacks to biological phosphates: AM1\/d parameters for phosphorus<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Theoretical Chemistry Accounts, <\/span><span class=\"tp_pub_additional_volume\">vol. 109, <\/span><span class=\"tp_pub_additional_number\">no. 3, <\/span><span class=\"tp_pub_additional_pages\">pp. 149-159, <\/span><span class=\"tp_pub_additional_year\">2003<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1432-881X<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X York, DM \r\nSymposium on Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials held at the 222nd American-Chemical-Society National Meeting \r\nAug 26-30, 2001 \r\nChicago, il \r\nAmer Chem Soc \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055 \r\n1432-2234)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_579\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('579','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_579\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('579','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_579\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN396,<br \/>\r\ntitle = {Parameterization of semiempirical methods to treat nucleophilic attacks to biological phosphates: AM1\/d parameters for phosphorus},<br \/>\r\nauthor = {X. Lopez and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000183038700008},<br \/>\r\ndoi = {10.1007\/s00214-002-0422-2},<br \/>\r\nissn = {1432-881X},<br \/>\r\nyear  = {2003},<br \/>\r\ndate = {2003-01-01},<br \/>\r\njournal = {Theoretical Chemistry Accounts},<br \/>\r\nvolume = {109},<br \/>\r\nnumber = {3},<br \/>\r\npages = {149-159},<br \/>\r\nnote = {Lopez, X York, DM <br \/>\r\nSymposium on Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials held at the 222nd American-Chemical-Society National Meeting <br \/>\r\nAug 26-30, 2001 <br \/>\r\nChicago, il <br \/>\r\nAmer Chem Soc <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055 <br \/>\r\n1432-2234},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('579','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_579\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000183038700008\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000183038700008\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000183038700008<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1007\/s00214-002-0422-2\" title=\"Follow DOI:10.1007\/s00214-002-0422-2\" target=\"_blank\">doi:10.1007\/s00214-002-0422-2<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('579','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">43.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Marques, M. A. L.;  Lopez, X.;  Varsano, D.;  Castro, A.;  Rubio, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('600','tp_links')\" style=\"cursor:pointer;\">Time-dependent density-functional approach for biological chromophores: The case of the green fluorescent protein<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Review Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 90, <\/span><span class=\"tp_pub_additional_number\">no. 25, <\/span><span class=\"tp_pub_additional_year\">2003<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0031-9007<\/span><span class=\"tp_pub_additional_note\">, (Marques, MAL Lopez, X Varsano, D Castro, A Rubio, A \r\nVarsano, Daniele\/A-4606-2010; Rubio, Angel\/A-5507-2008; Octopus, TDDFT Code\/E-2400-2011; Marques, Miguel A. L.\/A-7807-2008; Lopez, Xabier\/G-5690-2015; Marques, Miguel A. L.\/AAO-9914-2021; Castro, Alberto\/C-2557-2008 \r\nVarsano, Daniele\/0000-0001-7675-7374; Rubio, Angel\/0000-0003-2060-3151; Marques, Miguel A. L.\/0000-0003-0170-8222; Lopez, Xabier\/0000-0002-2711-3588; Marques, Miguel A. L.\/0000-0003-0170-8222; Castro, Alberto\/0000-0002-9253-7926 \r\n1079-7114)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_600\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('600','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_600\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('600','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_600\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN393,<br \/>\r\ntitle = {Time-dependent density-functional approach for biological chromophores: The case of the green fluorescent protein},<br \/>\r\nauthor = {M. A. L. Marques and X. Lopez and D. Varsano and A. Castro and A. Rubio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000183801300054},<br \/>\r\ndoi = {10.1103\/PhysRevLett.90.258101},<br \/>\r\nissn = {0031-9007},<br \/>\r\nyear  = {2003},<br \/>\r\ndate = {2003-01-01},<br \/>\r\njournal = {Physical Review Letters},<br \/>\r\nvolume = {90},<br \/>\r\nnumber = {25},<br \/>\r\nnote = {Marques, MAL Lopez, X Varsano, D Castro, A Rubio, A <br \/>\r\nVarsano, Daniele\/A-4606-2010; Rubio, Angel\/A-5507-2008; Octopus, TDDFT Code\/E-2400-2011; Marques, Miguel A. L.\/A-7807-2008; Lopez, Xabier\/G-5690-2015; Marques, Miguel A. L.\/AAO-9914-2021; Castro, Alberto\/C-2557-2008 <br \/>\r\nVarsano, Daniele\/0000-0001-7675-7374; Rubio, Angel\/0000-0003-2060-3151; Marques, Miguel A. L.\/0000-0003-0170-8222; Lopez, Xabier\/0000-0002-2711-3588; Marques, Miguel A. L.\/0000-0003-0170-8222; Castro, Alberto\/0000-0002-9253-7926 <br \/>\r\n1079-7114},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('600','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_600\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000183801300054\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000183801300054\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000183801300054<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1103\/PhysRevLett.90.258101\" title=\"Follow DOI:10.1103\/PhysRevLett.90.258101\" target=\"_blank\">doi:10.1103\/PhysRevLett.90.258101<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('600','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">42.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Mujika, J. I.;  Matxain, J. M.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('252','tp_links')\" style=\"cursor:pointer;\">Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Chemical Physics, <\/span><span class=\"tp_pub_additional_volume\">vol. 295, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_pages\">pp. 175-184, <\/span><span class=\"tp_pub_additional_year\">2003<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0301-0104<\/span><span class=\"tp_pub_additional_note\">, (Mercero, JM Mujika, JI Matxain, JM Lopez, X Ugalde, JM \r\nMujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; Matxain, Jon M.\/J-8184-2014 \r\nMujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1873-4421)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_252\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('252','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_252\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('252','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_252\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN164,<br \/>\r\ntitle = {Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes},<br \/>\r\nauthor = {J. M. Mercero and J. I. Mujika and J. M. Matxain and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000186860600009},<br \/>\r\ndoi = {10.1016\/j.chemphys.2003.08.031},<br \/>\r\nissn = {0301-0104},<br \/>\r\nyear  = {2003},<br \/>\r\ndate = {2003-01-01},<br \/>\r\njournal = {Chemical Physics},<br \/>\r\nvolume = {295},<br \/>\r\nnumber = {2},<br \/>\r\npages = {175-184},<br \/>\r\nnote = {Mercero, JM Mujika, JI Matxain, JM Lopez, X Ugalde, JM <br \/>\r\nMujika, Jon\/H-7132-2012; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nMujika, Jon\/0000-0002-4584-7497; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1873-4421},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('252','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_252\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000186860600009\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000186860600009\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000186860600009<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.chemphys.2003.08.031\" title=\"Follow DOI:10.1016\/j.chemphys.2003.08.031\" target=\"_blank\">doi:10.1016\/j.chemphys.2003.08.031<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('252','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">41.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mujika, J. I.;  Mercero, J. M.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('261','tp_links')\" style=\"cursor:pointer;\">A theoretical evaluation of the pK(a) for twisted amides using density functional theory and dielectric continuum methods<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 107, <\/span><span class=\"tp_pub_additional_number\">no. 31, <\/span><span class=\"tp_pub_additional_pages\">pp. 6099-6107, <\/span><span class=\"tp_pub_additional_year\">2003<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Mujika, JI Mercero, JM Lopez, X \r\nMujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010 \r\nMujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685 \r\n1520-5215)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_261\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('261','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_261\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('261','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_261\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN392,<br \/>\r\ntitle = {A theoretical evaluation of the pK(a) for twisted amides using density functional theory and dielectric continuum methods},<br \/>\r\nauthor = {J. I. Mujika and J. M. Mercero and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000184551200027},<br \/>\r\ndoi = {10.1021\/jp035228y},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {2003},<br \/>\r\ndate = {2003-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {107},<br \/>\r\nnumber = {31},<br \/>\r\npages = {6099-6107},<br \/>\r\nnote = {Mujika, JI Mercero, JM Lopez, X <br \/>\r\nMujika, Jon\/H-7132-2012; Lopez, Xabier\/G-5690-2015; Mercero, Jose\/E-6828-2010 <br \/>\r\nMujika, Jon\/0000-0002-4584-7497; Lopez, Xabier\/0000-0002-2711-3588; Mercero, Jose\/0000-0003-4857-6685 <br \/>\r\n1520-5215},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('261','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_261\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000184551200027\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000184551200027\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000184551200027<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp035228y\" title=\"Follow DOI:10.1021\/jp035228y\" target=\"_blank\">doi:10.1021\/jp035228y<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('261','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2002\">2002<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">40.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Schaefer, M.;  Dejaegere, A.;  Karplus, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('571','tp_links')\" style=\"cursor:pointer;\">Theoretical evaluation of pK(a) in phosphoranes: Implications for phosphate ester hydrolysis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 124, <\/span><span class=\"tp_pub_additional_number\">no. 18, <\/span><span class=\"tp_pub_additional_pages\">pp. 5010-5018, <\/span><span class=\"tp_pub_additional_year\">2002<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Schaefer, M Dejaegere, A Karplus, M \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588 \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_571\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('571','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_571\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('571','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_571\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN397,<br \/>\r\ntitle = {Theoretical evaluation of pK(a) in phosphoranes: Implications for phosphate ester hydrolysis},<br \/>\r\nauthor = {X. Lopez and M. Schaefer and A. Dejaegere and M. Karplus},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000175369100028},<br \/>\r\ndoi = {10.1021\/ja011373i},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2002},<br \/>\r\ndate = {2002-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {124},<br \/>\r\nnumber = {18},<br \/>\r\npages = {5010-5018},<br \/>\r\nnote = {Lopez, X Schaefer, M Dejaegere, A Karplus, M <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('571','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_571\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000175369100028\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000175369100028\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000175369100028<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja011373i\" title=\"Follow DOI:10.1021\/ja011373i\" target=\"_blank\">doi:10.1021\/ja011373i<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('571','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">39.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  York, D. M.;  Dejaegere, A.;  Karplus, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('580','tp_links')\" style=\"cursor:pointer;\">Theoretical studies on the hydrolysis of phosphate diesters in the gas phase, solution, and RNase A<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Quantum Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 86, <\/span><span class=\"tp_pub_additional_number\">no. 1, <\/span><span class=\"tp_pub_additional_pages\">pp. 10-26, <\/span><span class=\"tp_pub_additional_year\">2002<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-7608<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X York, DM Dejaegere, A Karplus, M \r\nInternational Conference on Electronic Structure \r\nOct 03-07, 2000 \r\nDonostia, spain \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055 \r\n1097-461x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_580\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('580','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_580\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('580','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_580\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN398,<br \/>\r\ntitle = {Theoretical studies on the hydrolysis of phosphate diesters in the gas phase, solution, and RNase A},<br \/>\r\nauthor = {X. Lopez and D. M. York and A. Dejaegere and M. Karplus},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000172583600002},<br \/>\r\ndoi = {10.1002\/qua.1601},<br \/>\r\nissn = {0020-7608},<br \/>\r\nyear  = {2002},<br \/>\r\ndate = {2002-01-01},<br \/>\r\njournal = {International Journal of Quantum Chemistry},<br \/>\r\nvolume = {86},<br \/>\r\nnumber = {1},<br \/>\r\npages = {10-26},<br \/>\r\nnote = {Lopez, X York, DM Dejaegere, A Karplus, M <br \/>\r\nInternational Conference on Electronic Structure <br \/>\r\nOct 03-07, 2000 <br \/>\r\nDonostia, spain <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; York, Darrin\/0000-0002-9193-7055 <br \/>\r\n1097-461x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('580','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_580\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000172583600002\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000172583600002\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000172583600002<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/qua.1601\" title=\"Follow DOI:10.1002\/qua.1601\" target=\"_blank\">doi:10.1002\/qua.1601<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('580','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">38.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Matxain, J. M.;  Lopez, X.;  Fowler, J. E.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('248','tp_links')\" style=\"cursor:pointer;\">Aluminum (III) interactions with the side chains of aromatic aminoacids<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">International Journal of Quantum Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 90, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_pages\">pp. 859-881, <\/span><span class=\"tp_pub_additional_year\">2002<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0020-7608<\/span><span class=\"tp_pub_additional_note\">, (Mercero, JM Matxain, JM Lopez, X Fowler, JE Ugalde, JM \r\nUgalde, Jesus\/M-2771-2014; Mercero, Jose\/E-6828-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Mercero, Jose\/0000-0003-4857-6685; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 \r\n1097-461x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_248\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('248','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_248\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('248','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_248\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN623,<br \/>\r\ntitle = {Aluminum (III) interactions with the side chains of aromatic aminoacids},<br \/>\r\nauthor = {J. M. Mercero and J. M. Matxain and X. Lopez and J. E. Fowler and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000178126500039},<br \/>\r\ndoi = {10.1002\/qua.952},<br \/>\r\nissn = {0020-7608},<br \/>\r\nyear  = {2002},<br \/>\r\ndate = {2002-01-01},<br \/>\r\njournal = {International Journal of Quantum Chemistry},<br \/>\r\nvolume = {90},<br \/>\r\nnumber = {2},<br \/>\r\npages = {859-881},<br \/>\r\nnote = {Mercero, JM Matxain, JM Lopez, X Fowler, JE Ugalde, JM <br \/>\r\nUgalde, Jesus\/M-2771-2014; Mercero, Jose\/E-6828-2010; Matxain, Jon M.\/J-8184-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Mercero, Jose\/0000-0003-4857-6685; Matxain, Jon M.\/0000-0002-6342-0649; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1097-461x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('248','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_248\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000178126500039\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000178126500039\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000178126500039<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/qua.952\" title=\"Follow DOI:10.1002\/qua.952\" target=\"_blank\">doi:10.1002\/qua.952<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('248','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_2001\">2001<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">37.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('553','tp_links')\" style=\"cursor:pointer;\">Parameterization of an AM1\/d Hamiltonian to treat nucleophilic reactions on phosphates of biological interest<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Abstracts of Papers of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 222, <\/span><span class=\"tp_pub_additional_pages\">pp. U395-U395, <\/span><span class=\"tp_pub_additional_year\">2001<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0065-7727<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X \r\n1)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_553\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('553','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_553\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('553','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_553\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN402,<br \/>\r\ntitle = {Parameterization of an AM1\/d Hamiltonian to treat nucleophilic reactions on phosphates of biological interest},<br \/>\r\nauthor = {X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000170690001981},<br \/>\r\nissn = {0065-7727},<br \/>\r\nyear  = {2001},<br \/>\r\ndate = {2001-01-01},<br \/>\r\njournal = {Abstracts of Papers of the American Chemical Society},<br \/>\r\nvolume = {222},<br \/>\r\npages = {U395-U395},<br \/>\r\nnote = {Lopez, X <br \/>\r\n1},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('553','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_553\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000170690001981\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000170690001981\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000170690001981<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('553','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">36.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Dejaegere, A.;  Karplus, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('556','tp_links')\" style=\"cursor:pointer;\">Solvent effects on the reaction coordinate of the hydrolysis of phosphates and sulfates: Application of Hammond and anti-Hammond postulates to understand hydrolysis in solution<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 123, <\/span><span class=\"tp_pub_additional_number\">no. 47, <\/span><span class=\"tp_pub_additional_pages\">pp. 11755-11763, <\/span><span class=\"tp_pub_additional_year\">2001<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Dejaegere, A Karplus, M \r\nLopez, Xabier\/G-5690-2015; Vasile, Simona\/J-8760-2019; Ciesielska-Wrobel, Izabela\/M-8068-2016 \r\nLopez, Xabier\/0000-0002-2711-3588; \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_556\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('556','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_556\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('556','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_556\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN400,<br \/>\r\ntitle = {Solvent effects on the reaction coordinate of the hydrolysis of phosphates and sulfates: Application of Hammond and anti-Hammond postulates to understand hydrolysis in solution},<br \/>\r\nauthor = {X. Lopez and A. Dejaegere and M. Karplus},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000172389300028},<br \/>\r\ndoi = {10.1021\/ja010683y},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {2001},<br \/>\r\ndate = {2001-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {123},<br \/>\r\nnumber = {47},<br \/>\r\npages = {11755-11763},<br \/>\r\nnote = {Lopez, X Dejaegere, A Karplus, M <br \/>\r\nLopez, Xabier\/G-5690-2015; Vasile, Simona\/J-8760-2019; Ciesielska-Wrobel, Izabela\/M-8068-2016 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('556','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_556\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000172389300028\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000172389300028\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000172389300028<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja010683y\" title=\"Follow DOI:10.1021\/ja010683y\" target=\"_blank\">doi:10.1021\/ja010683y<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('556','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">35.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Zlatkova, S. Z.;  York, D. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('581','tp_links')\" style=\"cursor:pointer;\">New semiempirical specific reaction parameter Hamiltonian for biological phosphate hydrolysis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Abstracts of Papers of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 222, <\/span><span class=\"tp_pub_additional_pages\">pp. U401-U401, <\/span><span class=\"tp_pub_additional_year\">2001<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0065-7727<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Zlatkova, SZ York, DM \r\n1)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_581\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('581','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_581\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('581','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_581\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN401,<br \/>\r\ntitle = {New semiempirical specific reaction parameter Hamiltonian for biological phosphate hydrolysis},<br \/>\r\nauthor = {X. Lopez and S. Z. Zlatkova and D. M. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000170690002018},<br \/>\r\nissn = {0065-7727},<br \/>\r\nyear  = {2001},<br \/>\r\ndate = {2001-01-01},<br \/>\r\njournal = {Abstracts of Papers of the American Chemical Society},<br \/>\r\nvolume = {222},<br \/>\r\npages = {U401-U401},<br \/>\r\nnote = {Lopez, X Zlatkova, SZ York, DM <br \/>\r\n1},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('581','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_581\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000170690002018\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000170690002018\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000170690002018<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('581','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">34.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Irigoras, A.;  Lopez, X.;  Fowler, J. E.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('245','tp_links')\" style=\"cursor:pointer;\">Aluminum (III) interactions with sulfur-containing amino acid chains<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 105, <\/span><span class=\"tp_pub_additional_number\">no. 31, <\/span><span class=\"tp_pub_additional_pages\">pp. 7446-7453, <\/span><span class=\"tp_pub_additional_year\">2001<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Mercero, JM Irigoras, A Lopez, X Fowler, JE Ugalde, JM \r\nMercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nMercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1520-5215)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_245\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('245','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_245\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('245','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_245\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN179,<br \/>\r\ntitle = {Aluminum (III) interactions with sulfur-containing amino acid chains},<br \/>\r\nauthor = {J. M. Mercero and A. Irigoras and X. Lopez and J. E. Fowler and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000170299900018},<br \/>\r\ndoi = {10.1021\/jp0112121},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {2001},<br \/>\r\ndate = {2001-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {105},<br \/>\r\nnumber = {31},<br \/>\r\npages = {7446-7453},<br \/>\r\nnote = {Mercero, JM Irigoras, A Lopez, X Fowler, JE Ugalde, JM <br \/>\r\nMercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1520-5215},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('245','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_245\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000170299900018\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000170299900018\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000170299900018<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp0112121\" title=\"Follow DOI:10.1021\/jp0112121\" target=\"_blank\">doi:10.1021\/jp0112121<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('245','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">33.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Schuman, M.;  Lopez, X.;  Karplus, M.;  Gouverneur, V.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('754','tp_links')\" style=\"cursor:pointer;\">Synthesis of a novel diarylphosphinic acid: a distorted ground state mimic and transition state analogue for amide hydrolysis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Tetrahedron, <\/span><span class=\"tp_pub_additional_volume\">vol. 57, <\/span><span class=\"tp_pub_additional_number\">no. 52, <\/span><span class=\"tp_pub_additional_pages\">pp. 10299-10307, <\/span><span class=\"tp_pub_additional_year\">2001<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0040-4020<\/span><span class=\"tp_pub_additional_note\">, (Schuman, M Lopez, X Karplus, M Gouverneur, V \r\nLopez, Xabier\/G-5690-2015 \r\nLopez, Xabier\/0000-0002-2711-3588)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_754\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('754','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_754\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('754','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_754\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN399,<br \/>\r\ntitle = {Synthesis of a novel diarylphosphinic acid: a distorted ground state mimic and transition state analogue for amide hydrolysis},<br \/>\r\nauthor = {M. Schuman and X. Lopez and M. Karplus and V. Gouverneur},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000172828200010},<br \/>\r\ndoi = {10.1016\/s0040-4020(01)01048-1},<br \/>\r\nissn = {0040-4020},<br \/>\r\nyear  = {2001},<br \/>\r\ndate = {2001-01-01},<br \/>\r\njournal = {Tetrahedron},<br \/>\r\nvolume = {57},<br \/>\r\nnumber = {52},<br \/>\r\npages = {10299-10307},<br \/>\r\nnote = {Schuman, M Lopez, X Karplus, M Gouverneur, V <br \/>\r\nLopez, Xabier\/G-5690-2015 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('754','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_754\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000172828200010\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000172828200010\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000172828200010<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/s0040-4020(01)01048-1\" title=\"Follow DOI:10.1016\/s0040-4020(01)01048-1\" target=\"_blank\">doi:10.1016\/s0040-4020(01)01048-1<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('754','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">32.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Zlatkova, S. Z.;  Range, K.;  Lopez, X.;  York, D.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('824','tp_links')\" style=\"cursor:pointer;\">Development of an ab initio database for biological phosphate hydrolysis<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Abstracts of Papers of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 222, <\/span><span class=\"tp_pub_additional_pages\">pp. U400-U401, <\/span><span class=\"tp_pub_additional_year\">2001<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0065-7727<\/span><span class=\"tp_pub_additional_note\">, (Zlatkova, SZ Range, K Lopez, X York, D \r\n1)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_824\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('824','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_824\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('824','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_824\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN403,<br \/>\r\ntitle = {Development of an ab initio database for biological phosphate hydrolysis},<br \/>\r\nauthor = {S. Z. Zlatkova and K. Range and X. Lopez and D. York},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000170690002017},<br \/>\r\nissn = {0065-7727},<br \/>\r\nyear  = {2001},<br \/>\r\ndate = {2001-01-01},<br \/>\r\njournal = {Abstracts of Papers of the American Chemical Society},<br \/>\r\nvolume = {222},<br \/>\r\npages = {U400-U401},<br \/>\r\nnote = {Zlatkova, SZ Range, K Lopez, X York, D <br \/>\r\n1},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('824','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_824\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:000170690002017\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000170690002017\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000170690002017<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('824','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_1997\">1997<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">31.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Cruz, E. M.;  Fowler, J. E.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('332','tp_links')\" style=\"cursor:pointer;\">Reaction of P+ (P-3) with methylamine: A detailed study of the potential energy surface and reaction mechanisms<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 101, <\/span><span class=\"tp_pub_additional_number\">no. 26, <\/span><span class=\"tp_pub_additional_pages\">pp. 4807-4813, <\/span><span class=\"tp_pub_additional_year\">1997<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Cruz, EM Fowler, JE Lopez, X Ugalde, JM \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Cruz, Elso Manuel Cruz\/I-4925-2017 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cruz, Elso Manuel Cruz\/0000-0002-9050-0898)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_332\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('332','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_332\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('332','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_332\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN219,<br \/>\r\ntitle = {Reaction of P+ (P-3) with methylamine: A detailed study of the potential energy surface and reaction mechanisms},<br \/>\r\nauthor = {E. M. Cruz and J. E. Fowler and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1997XG93500021},<br \/>\r\ndoi = {10.1021\/jp970396+},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {1997},<br \/>\r\ndate = {1997-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {101},<br \/>\r\nnumber = {26},<br \/>\r\npages = {4807-4813},<br \/>\r\nnote = {Cruz, EM Fowler, JE Lopez, X Ugalde, JM <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Cruz, Elso Manuel Cruz\/I-4925-2017 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cruz, Elso Manuel Cruz\/0000-0002-9050-0898},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('332','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_332\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1997XG93500021\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1997XG93500021\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1997XG93500021<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp970396+\" title=\"Follow DOI:10.1021\/jp970396+\" target=\"_blank\">doi:10.1021\/jp970396+<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('332','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">30.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Cruz, E. M.;  Lopez, X.;  Ayerbe, M.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('333','tp_links')\" style=\"cursor:pointer;\">G2 study of the triplet and singlet H-3,P-2 (+) potential energy surfaces. Mechanisms for the reaction of P+(D-1,P-3) with PH3<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 101, <\/span><span class=\"tp_pub_additional_number\">no. 11, <\/span><span class=\"tp_pub_additional_pages\">pp. 2166-2172, <\/span><span class=\"tp_pub_additional_year\">1997<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Cruz, EM Lopez, X Ayerbe, M Ugalde, JM \r\nLopez, Xabier\/G-5690-2015; Cruz, Elso Manuel Cruz\/I-4925-2017; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Cruz, Elso Manuel Cruz\/0000-0002-9050-0898; Ugalde, Jesus\/0000-0001-8980-9751; AYERBE DIAZ, MIRARI\/0000-0001-5119-5643 \r\n1520-5215)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_333\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('333','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_333\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('333','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_333\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN223,<br \/>\r\ntitle = {G2 study of the triplet and singlet H-3,P-2 (+) potential energy surfaces. Mechanisms for the reaction of P+(D-1,P-3) with PH3},<br \/>\r\nauthor = {E. M. Cruz and X. Lopez and M. Ayerbe and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1997WM88400026},<br \/>\r\ndoi = {10.1021\/jp962357o},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {1997},<br \/>\r\ndate = {1997-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {101},<br \/>\r\nnumber = {11},<br \/>\r\npages = {2166-2172},<br \/>\r\nnote = {Cruz, EM Lopez, X Ayerbe, M Ugalde, JM <br \/>\r\nLopez, Xabier\/G-5690-2015; Cruz, Elso Manuel Cruz\/I-4925-2017; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Cruz, Elso Manuel Cruz\/0000-0002-9050-0898; Ugalde, Jesus\/0000-0001-8980-9751; AYERBE DIAZ, MIRARI\/0000-0001-5119-5643 <br \/>\r\n1520-5215},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('333','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_333\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1997WM88400026\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1997WM88400026\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1997WM88400026<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp962357o\" title=\"Follow DOI:10.1021\/jp962357o\" target=\"_blank\">doi:10.1021\/jp962357o<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('333','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">29.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Cruz, E. M.;  Lopez, X.;  Sarobe, M.;  Cossio, F. P.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('334','tp_links')\" style=\"cursor:pointer;\">G2 study of triplet H-4,Si,P (+) potential energy surface: Mechanism for reaction of P+(P-3) with silane<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Computational Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 18, <\/span><span class=\"tp_pub_additional_number\">no. 1, <\/span><span class=\"tp_pub_additional_pages\">pp. 9-19, <\/span><span class=\"tp_pub_additional_year\">1997<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0192-8651<\/span><span class=\"tp_pub_additional_note\">, (Cruz, EM Lopez, X Sarobe, M Cossio, FP Ugalde, JM \r\nCruz, Elso Manuel Cruz\/I-4925-2017; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nCruz, Elso Manuel Cruz\/0000-0002-9050-0898; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122 \r\n1096-987x)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_334\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('334','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_334\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('334','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_334\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN225,<br \/>\r\ntitle = {G2 study of triplet H-4,Si,P (+) potential energy surface: Mechanism for reaction of P+(P-3) with silane},<br \/>\r\nauthor = {E. M. Cruz and X. Lopez and M. Sarobe and F. P. Cossio and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1997VZ62400002},<br \/>\r\nissn = {0192-8651},<br \/>\r\nyear  = {1997},<br \/>\r\ndate = {1997-01-01},<br \/>\r\njournal = {Journal of Computational Chemistry},<br \/>\r\nvolume = {18},<br \/>\r\nnumber = {1},<br \/>\r\npages = {9-19},<br \/>\r\nnote = {Cruz, EM Lopez, X Sarobe, M Cossio, FP Ugalde, JM <br \/>\r\nCruz, Elso Manuel Cruz\/I-4925-2017; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nCruz, Elso Manuel Cruz\/0000-0002-9050-0898; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122 <br \/>\r\n1096-987x},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('334','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_334\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1997VZ62400002\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1997VZ62400002\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1997VZ62400002<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('334','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">28.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Sarasola, C.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('570','tp_links')\" style=\"cursor:pointer;\">Transition energies and emission oscillator strengths of helium in model plasma environments<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 101, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 1804-1807, <\/span><span class=\"tp_pub_additional_year\">1997<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Sarasola, C Ugalde, JM \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_570\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('570','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_570\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('570','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_570\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN224,<br \/>\r\ntitle = {Transition energies and emission oscillator strengths of helium in model plasma environments},<br \/>\r\nauthor = {X. Lopez and C. Sarasola and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1997WL76900005},<br \/>\r\ndoi = {10.1021\/jp9623103},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {1997},<br \/>\r\ndate = {1997-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {101},<br \/>\r\nnumber = {10},<br \/>\r\npages = {1804-1807},<br \/>\r\nnote = {Lopez, X Sarasola, C Ugalde, JM <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('570','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_570\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1997WL76900005\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1997WL76900005\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1997WL76900005<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp9623103\" title=\"Follow DOI:10.1021\/jp9623103\" target=\"_blank\">doi:10.1021\/jp9623103<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('570','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">27.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mercero, J. M.;  Lopez, X.;  Fowler, J. E.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('246','tp_links')\" style=\"cursor:pointer;\">Ab-initio studies of alternant X2Y2 rings (X=N, P, As, and Sb and Y=O, S, Se, and Te). Planar versus butterfly structures<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry A, <\/span><span class=\"tp_pub_additional_volume\">vol. 101, <\/span><span class=\"tp_pub_additional_number\">no. 30, <\/span><span class=\"tp_pub_additional_pages\">pp. 5574-5579, <\/span><span class=\"tp_pub_additional_year\">1997<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1089-5639<\/span><span class=\"tp_pub_additional_note\">, (Mercero, JM Lopez, X Fowler, JE Ugalde, JM \r\nMercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nMercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_246\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('246','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_246\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('246','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_246\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN218,<br \/>\r\ntitle = {Ab-initio studies of alternant X2Y2 rings (X=N, P, As, and Sb and Y=O, S, Se, and Te). Planar versus butterfly structures},<br \/>\r\nauthor = {J. M. Mercero and X. Lopez and J. E. Fowler and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1997XM73000025},<br \/>\r\ndoi = {10.1021\/jp970585s},<br \/>\r\nissn = {1089-5639},<br \/>\r\nyear  = {1997},<br \/>\r\ndate = {1997-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry A},<br \/>\r\nvolume = {101},<br \/>\r\nnumber = {30},<br \/>\r\npages = {5574-5579},<br \/>\r\nnote = {Mercero, JM Lopez, X Fowler, JE Ugalde, JM <br \/>\r\nMercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nMercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('246','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_246\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1997XM73000025\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1997XM73000025\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1997XM73000025<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jp970585s\" title=\"Follow DOI:10.1021\/jp970585s\" target=\"_blank\">doi:10.1021\/jp970585s<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('246','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">26.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Ugalde, J. M.;  Sarasola, C.;  Lopez, X.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('792','tp_links')\" style=\"cursor:pointer;\">Atomic and molecular bound ground states of the Yukawa potential<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Physical Review A, <\/span><span class=\"tp_pub_additional_volume\">vol. 56, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_pages\">pp. 1642-1645, <\/span><span class=\"tp_pub_additional_year\">1997<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1050-2947<\/span><span class=\"tp_pub_additional_note\">, (Ugalde, JM Sarasola, C Lopez, X \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 \r\n1094-1622)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_792\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('792','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_792\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('792','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_792\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN217,<br \/>\r\ntitle = {Atomic and molecular bound ground states of the Yukawa potential},<br \/>\r\nauthor = {J. M. Ugalde and C. Sarasola and X. Lopez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1997XQ61800080},<br \/>\r\ndoi = {10.1103\/PhysRevA.56.1642},<br \/>\r\nissn = {1050-2947},<br \/>\r\nyear  = {1997},<br \/>\r\ndate = {1997-01-01},<br \/>\r\njournal = {Physical Review A},<br \/>\r\nvolume = {56},<br \/>\r\nnumber = {2},<br \/>\r\npages = {1642-1645},<br \/>\r\nnote = {Ugalde, JM Sarasola, C Lopez, X <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588 <br \/>\r\n1094-1622},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('792','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_792\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1997XQ61800080\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1997XQ61800080\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1997XQ61800080<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1103\/PhysRevA.56.1642\" title=\"Follow DOI:10.1103\/PhysRevA.56.1642\" target=\"_blank\">doi:10.1103\/PhysRevA.56.1642<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('792','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_1996\">1996<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">25.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Irigoras, A.;  Ugalde, J. M.;  Lopez, X.;  Sarasola, C.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('497','tp_links')\" style=\"cursor:pointer;\">On the dissociation energy of Ti(OH2)(+). An MCSCF, CCSD(T), and DFT study<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Canadian Journal of Chemistry-Revue Canadienne De Chimie, <\/span><span class=\"tp_pub_additional_volume\">vol. 74, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 1824-1829, <\/span><span class=\"tp_pub_additional_year\">1996<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0008-4042<\/span><span class=\"tp_pub_additional_note\">, (Irigoras, A Ugalde, JM Lopez, X Sarasola, C \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_497\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('497','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_497\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('497','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_497\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN227,<br \/>\r\ntitle = {On the dissociation energy of Ti(OH2)(+). An MCSCF, CCSD(T), and DFT study},<br \/>\r\nauthor = {A. Irigoras and J. M. Ugalde and X. Lopez and C. Sarasola},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1996VT64500008},<br \/>\r\ndoi = {10.1139\/v96-203},<br \/>\r\nissn = {0008-4042},<br \/>\r\nyear  = {1996},<br \/>\r\ndate = {1996-01-01},<br \/>\r\njournal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},<br \/>\r\nvolume = {74},<br \/>\r\nnumber = {10},<br \/>\r\npages = {1824-1829},<br \/>\r\nnote = {Irigoras, A Ugalde, JM Lopez, X Sarasola, C <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('497','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_497\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1996VT64500008\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1996VT64500008\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1996VT64500008<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1139\/v96-203\" title=\"Follow DOI:10.1139\/v96-203\" target=\"_blank\">doi:10.1139\/v96-203<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('497','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">24.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lecea, B.;  Arrastia, I.;  Arrieta, A.;  Roa, G.;  Lopez, X.;  Arriortua, M. I.;  Ugalde, J. M.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('541','tp_links')\" style=\"cursor:pointer;\">Solvent and substituent effects in the periselectivity of the Staudinger reaction between ketenes and alpha,beta-unsaturated imines. A theoretical and experimental study<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Organic Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 61, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 3070-3079, <\/span><span class=\"tp_pub_additional_year\">1996<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3263<\/span><span class=\"tp_pub_additional_note\">, (Lecea, B Arrastia, I Arrieta, A Roa, G Lopez, X Arriortua, MI Ugalde, JM Cossio, FP \r\nUgalde, Jesus\/M-2771-2014; ARRIORTUA, MARIBEL I\/G-2416-2016; Lopez, Xabier\/G-5690-2015; Arrastia, Iosune\/AAB-9186-2019 \r\nUgalde, Jesus\/0000-0001-8980-9751; ARRIORTUA, MARIBEL I\/0000-0001-7562-2478; Lopez, Xabier\/0000-0002-2711-3588; Arrastia, Iosune\/0000-0001-5533-3708; Cossio, Fernando P.\/0000-0002-4526-2122; Arrieta, Ana Jesus\/0000-0002-0580-2542 \r\n1520-6904)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_541\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('541','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_541\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('541','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_541\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN233,<br \/>\r\ntitle = {Solvent and substituent effects in the periselectivity of the Staudinger reaction between ketenes and alpha,beta-unsaturated imines. A theoretical and experimental study},<br \/>\r\nauthor = {B. Lecea and I. Arrastia and A. Arrieta and G. Roa and X. Lopez and M. I. Arriortua and J. M. Ugalde and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1996UJ09400030},<br \/>\r\ndoi = {10.1021\/jo951867w},<br \/>\r\nissn = {0022-3263},<br \/>\r\nyear  = {1996},<br \/>\r\ndate = {1996-01-01},<br \/>\r\njournal = {Journal of Organic Chemistry},<br \/>\r\nvolume = {61},<br \/>\r\nnumber = {9},<br \/>\r\npages = {3070-3079},<br \/>\r\nnote = {Lecea, B Arrastia, I Arrieta, A Roa, G Lopez, X Arriortua, MI Ugalde, JM Cossio, FP <br \/>\r\nUgalde, Jesus\/M-2771-2014; ARRIORTUA, MARIBEL I\/G-2416-2016; Lopez, Xabier\/G-5690-2015; Arrastia, Iosune\/AAB-9186-2019 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; ARRIORTUA, MARIBEL I\/0000-0001-7562-2478; Lopez, Xabier\/0000-0002-2711-3588; Arrastia, Iosune\/0000-0001-5533-3708; Cossio, Fernando P.\/0000-0002-4526-2122; Arrieta, Ana Jesus\/0000-0002-0580-2542 <br \/>\r\n1520-6904},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('541','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_541\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1996UJ09400030\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1996UJ09400030\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1996UJ09400030<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/jo951867w\" title=\"Follow DOI:10.1021\/jo951867w\" target=\"_blank\">doi:10.1021\/jo951867w<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('541','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">23.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ugalde, J. M.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('573','tp_links')\" style=\"cursor:pointer;\">Characterization of (P(+)L(x))L(y) ion molecule clusters of first-row hydrides<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 118, <\/span><span class=\"tp_pub_additional_number\">no. 11, <\/span><span class=\"tp_pub_additional_pages\">pp. 2718-2725, <\/span><span class=\"tp_pub_additional_year\">1996<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Ugalde, JM Cossio, FP \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122 \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_573\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('573','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_573\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('573','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_573\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN235,<br \/>\r\ntitle = {Characterization of (P(+)L(x))L(y) ion molecule clusters of first-row hydrides},<br \/>\r\nauthor = {X. Lopez and J. M. Ugalde and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1996UB11600023},<br \/>\r\ndoi = {10.1021\/ja952257g},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {1996},<br \/>\r\ndate = {1996-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {118},<br \/>\r\nnumber = {11},<br \/>\r\npages = {2718-2725},<br \/>\r\nnote = {Lopez, X Ugalde, JM Cossio, FP <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122 <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('573','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_573\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1996UB11600023\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1996UB11600023\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1996UB11600023<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja952257g\" title=\"Follow DOI:10.1021\/ja952257g\" target=\"_blank\">doi:10.1021\/ja952257g<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('573','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">22.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ugalde, J. M.;  Sarasola, C.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('578','tp_links')\" style=\"cursor:pointer;\">On the accuracy of density functional theory for ion-molecule clusters. A case study of PL(n)(+) clusters of the first and second row hydrides<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Canadian Journal of Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 74, <\/span><span class=\"tp_pub_additional_number\">no. 6, <\/span><span class=\"tp_pub_additional_pages\">pp. 1032-1048, <\/span><span class=\"tp_pub_additional_year\">1996<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0008-4042<\/span><span class=\"tp_pub_additional_note\">, (Lopez, X Ugalde, JM Sarasola, C Cossio, FP \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122 \r\n1480-3291)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_578\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('578','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_578\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('578','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_578\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN231,<br \/>\r\ntitle = {On the accuracy of density functional theory for ion-molecule clusters. A case study of PL(n)(+) clusters of the first and second row hydrides},<br \/>\r\nauthor = {X. Lopez and J. M. Ugalde and C. Sarasola and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1996VA96600033},<br \/>\r\ndoi = {10.1139\/v96-116},<br \/>\r\nissn = {0008-4042},<br \/>\r\nyear  = {1996},<br \/>\r\ndate = {1996-01-01},<br \/>\r\njournal = {Canadian Journal of Chemistry},<br \/>\r\nvolume = {74},<br \/>\r\nnumber = {6},<br \/>\r\npages = {1032-1048},<br \/>\r\nnote = {Lopez, X Ugalde, JM Sarasola, C Cossio, FP <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122 <br \/>\r\n1480-3291},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('578','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_578\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1996VA96600033\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1996VA96600033\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1996VA96600033<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1139\/v96-116\" title=\"Follow DOI:10.1139\/v96-116\" target=\"_blank\">doi:10.1139\/v96-116<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('578','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_1995\">1995<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">21.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Cruz, E. M.;  Lopez, X.;  Ugalde, J. M.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('335','tp_links')\" style=\"cursor:pointer;\">G1 AND G2 STUDY OF THE TRIPLET H-4, C, O, P (+) POTENTIAL-ENERGY SURFACE - MECHANISMS FOR THE REACTION OF P+ (P-3) WITH METHANOL<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 99, <\/span><span class=\"tp_pub_additional_number\">no. 32, <\/span><span class=\"tp_pub_additional_pages\">pp. 12170-12178, <\/span><span class=\"tp_pub_additional_year\">1995<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Cruz, em lopez, x ugalde, jm cossio, fp \r\nCruz, Elso Manuel Cruz\/I-4925-2017; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nCruz, Elso Manuel Cruz\/0000-0002-9050-0898; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_335\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('335','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_335\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('335','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_335\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN238,<br \/>\r\ntitle = {G1 AND G2 STUDY OF THE TRIPLET H-4, C, O, P (+) POTENTIAL-ENERGY SURFACE - MECHANISMS FOR THE REACTION OF P+ (P-3) WITH METHANOL},<br \/>\r\nauthor = {E. M. Cruz and X. Lopez and J. M. Ugalde and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1995RN70600019},<br \/>\r\ndoi = {10.1021\/j100032a019},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1995},<br \/>\r\ndate = {1995-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {99},<br \/>\r\nnumber = {32},<br \/>\r\npages = {12170-12178},<br \/>\r\nnote = {Cruz, em lopez, x ugalde, jm cossio, fp <br \/>\r\nCruz, Elso Manuel Cruz\/I-4925-2017; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nCruz, Elso Manuel Cruz\/0000-0002-9050-0898; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('335','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_335\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1995RN70600019\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1995RN70600019\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1995RN70600019<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100032a019\" title=\"Follow DOI:10.1021\/j100032a019\" target=\"_blank\">doi:10.1021\/j100032a019<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('335','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">20.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Largo, A.;  Barrientos, C.;  Lopez, X.;  Cossio, F. P.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('532','tp_links')\" style=\"cursor:pointer;\">THEORETICAL-STUDIES OF POSSIBLE PROCESSES FOR THE INTERSTELLAR PRODUCTION OF PHOSPHORUS-COMPOUNDS - THE REACTION OF P+ WITH ACETYLENE<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 99, <\/span><span class=\"tp_pub_additional_number\">no. 17, <\/span><span class=\"tp_pub_additional_pages\">pp. 6432-6440, <\/span><span class=\"tp_pub_additional_year\">1995<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Largo, a barrientos, c lopez, x cossio, fp ugalde, jm \r\nLopez, Xabier\/G-5690-2015; Largo, Antonio\/K-7746-2014; Largo, Antonio\/HGU-9456-2022; Barrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Largo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850; Barrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_532\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('532','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_532\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('532','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_532\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN240,<br \/>\r\ntitle = {THEORETICAL-STUDIES OF POSSIBLE PROCESSES FOR THE INTERSTELLAR PRODUCTION OF PHOSPHORUS-COMPOUNDS - THE REACTION OF P+ WITH ACETYLENE},<br \/>\r\nauthor = {A. Largo and C. Barrientos and X. Lopez and F. P. Cossio and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1995QV52700023},<br \/>\r\ndoi = {10.1021\/j100017a023},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1995},<br \/>\r\ndate = {1995-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {99},<br \/>\r\nnumber = {17},<br \/>\r\npages = {6432-6440},<br \/>\r\nnote = {Largo, a barrientos, c lopez, x cossio, fp ugalde, jm <br \/>\r\nLopez, Xabier\/G-5690-2015; Largo, Antonio\/K-7746-2014; Largo, Antonio\/HGU-9456-2022; Barrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Largo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850; Barrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('532','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_532\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1995QV52700023\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1995QV52700023\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1995QV52700023<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100017a023\" title=\"Follow DOI:10.1021\/j100017a023\" target=\"_blank\">doi:10.1021\/j100017a023<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('532','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">19.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lecea, B.;  Arrieta, A.;  Lopez, X.;  Ugalde, J. M.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('542','tp_links')\" style=\"cursor:pointer;\">ON THE STEREOCHEMICAL OUTCOME OF THE CATALYZED AND UNCATALYZED CYCLOADDITION REACTION BETWEEN ACTIVATED KETENES AND ALDEHYDES TO FORM CIS-2-OXETANONES AND TRANS-2-OXETANONES - AN AB-INITIO STUDY<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 117, <\/span><span class=\"tp_pub_additional_number\">no. 49, <\/span><span class=\"tp_pub_additional_pages\">pp. 12314-12321, <\/span><span class=\"tp_pub_additional_year\">1995<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Lecea, b arrieta, a lopez, x ugalde, jm cossio, fp \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Arrieta, Ana Jesus\/0000-0002-0580-2542; Cossio, Fernando P.\/0000-0002-4526-2122 \r\n1520-5126)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_542\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('542','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_542\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('542','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_542\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN237,<br \/>\r\ntitle = {ON THE STEREOCHEMICAL OUTCOME OF THE CATALYZED AND UNCATALYZED CYCLOADDITION REACTION BETWEEN ACTIVATED KETENES AND ALDEHYDES TO FORM CIS-2-OXETANONES AND TRANS-2-OXETANONES - AN AB-INITIO STUDY},<br \/>\r\nauthor = {B. Lecea and A. Arrieta and X. Lopez and J. M. Ugalde and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1995TK38200034},<br \/>\r\ndoi = {10.1021\/ja00154a034},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {1995},<br \/>\r\ndate = {1995-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {117},<br \/>\r\nnumber = {49},<br \/>\r\npages = {12314-12321},<br \/>\r\nnote = {Lecea, b arrieta, a lopez, x ugalde, jm cossio, fp <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Arrieta, Ana Jesus\/0000-0002-0580-2542; Cossio, Fernando P.\/0000-0002-4526-2122 <br \/>\r\n1520-5126},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('542','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_542\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1995TK38200034\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1995TK38200034\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1995TK38200034<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja00154a034\" title=\"Follow DOI:10.1021\/ja00154a034\" target=\"_blank\">doi:10.1021\/ja00154a034<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('542','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">18.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ayerbe, M.;  Ugalde, J. M.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('554','tp_links')\" style=\"cursor:pointer;\">MECHANISMS FOR THE REACTION OF TRIPLEX P+ WITH XH (X=CL, F) - FORMATION OF THE P-X BOND<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 99, <\/span><span class=\"tp_pub_additional_number\">no. 18, <\/span><span class=\"tp_pub_additional_pages\">pp. 6812-6818, <\/span><span class=\"tp_pub_additional_year\">1995<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Lopez, x ayerbe, m ugalde, jm cossio, fp \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; AYERBE DIAZ, MIRARI\/0000-0001-5119-5643; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_554\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('554','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_554\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('554','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_554\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN239,<br \/>\r\ntitle = {MECHANISMS FOR THE REACTION OF TRIPLEX P+ WITH XH (X=CL, F) - FORMATION OF THE P-X BOND},<br \/>\r\nauthor = {X. Lopez and M. Ayerbe and J. M. Ugalde and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1995QW70500010},<br \/>\r\ndoi = {10.1021\/j100018a010},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1995},<br \/>\r\ndate = {1995-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {99},<br \/>\r\nnumber = {18},<br \/>\r\npages = {6812-6818},<br \/>\r\nnote = {Lopez, x ayerbe, m ugalde, jm cossio, fp <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; AYERBE DIAZ, MIRARI\/0000-0001-5119-5643; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('554','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_554\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1995QW70500010\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1995QW70500010\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1995QW70500010<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100018a010\" title=\"Follow DOI:10.1021\/j100018a010\" target=\"_blank\">doi:10.1021\/j100018a010<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('554','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_1994\">1994<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">17.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Largo, A.;  Barrientos, C.;  Lopez, X.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('533','tp_links')\" style=\"cursor:pointer;\">THEORETICAL-STUDY OF THE C2P RADICAL AND (C2P)(+) SPECIES<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 98, <\/span><span class=\"tp_pub_additional_number\">no. 15, <\/span><span class=\"tp_pub_additional_pages\">pp. 3985-3988, <\/span><span class=\"tp_pub_additional_year\">1994<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Largo, a barrientos, c lopez, x ugalde, jm \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Barrientos, Carmen\/K-9698-2014; Largo, Antonio\/K-7746-2014; Largo, Antonio\/HGU-9456-2022 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Barrientos, Carmen\/0000-0003-0078-7379; Largo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_533\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('533','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_533\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('533','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_533\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN245,<br \/>\r\ntitle = {THEORETICAL-STUDY OF THE C2P RADICAL AND (C2P)(+) SPECIES},<br \/>\r\nauthor = {A. Largo and C. Barrientos and X. Lopez and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1994NG21900013},<br \/>\r\ndoi = {10.1021\/j100066a013},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1994},<br \/>\r\ndate = {1994-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {98},<br \/>\r\nnumber = {15},<br \/>\r\npages = {3985-3988},<br \/>\r\nnote = {Largo, a barrientos, c lopez, x ugalde, jm <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Barrientos, Carmen\/K-9698-2014; Largo, Antonio\/K-7746-2014; Largo, Antonio\/HGU-9456-2022 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Barrientos, Carmen\/0000-0003-0078-7379; Largo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('533','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_533\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1994NG21900013\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1994NG21900013\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1994NG21900013<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100066a013\" title=\"Follow DOI:10.1021\/j100066a013\" target=\"_blank\">doi:10.1021\/j100066a013<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('533','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">16.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Cossio, F. P.;  Ugalde, J. M.;  Barrientos, C.;  Largo, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('555','tp_links')\" style=\"cursor:pointer;\">AB-INITIO CHARACTERIZATION OF GASEOUS (CO2P)(+) SPECIES<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 98, <\/span><span class=\"tp_pub_additional_number\">no. 9, <\/span><span class=\"tp_pub_additional_pages\">pp. 2294-2297, <\/span><span class=\"tp_pub_additional_year\">1994<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Lopez, x cossio, fp ugalde, jm barrientos, c largo, a \r\nLargo, Antonio\/K-7746-2014; Largo, Antonio\/HGU-9456-2022; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Barrientos, Carmen\/K-9698-2014 \r\nLargo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Barrientos, Carmen\/0000-0003-0078-7379; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_555\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('555','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_555\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('555','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_555\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN249,<br \/>\r\ntitle = {AB-INITIO CHARACTERIZATION OF GASEOUS (CO2P)(+) SPECIES},<br \/>\r\nauthor = {X. Lopez and F. P. Cossio and J. M. Ugalde and C. Barrientos and A. Largo},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1994MZ51300014},<br \/>\r\ndoi = {10.1021\/j100060a014},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1994},<br \/>\r\ndate = {1994-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {98},<br \/>\r\nnumber = {9},<br \/>\r\npages = {2294-2297},<br \/>\r\nnote = {Lopez, x cossio, fp ugalde, jm barrientos, c largo, a <br \/>\r\nLargo, Antonio\/K-7746-2014; Largo, Antonio\/HGU-9456-2022; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Barrientos, Carmen\/K-9698-2014 <br \/>\r\nLargo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Barrientos, Carmen\/0000-0003-0078-7379; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('555','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_555\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1994MZ51300014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1994MZ51300014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1994MZ51300014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100060a014\" title=\"Follow DOI:10.1021\/j100060a014\" target=\"_blank\">doi:10.1021\/j100060a014<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('555','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">15.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Irigoras, A.;  Ugalde, J. M.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('558','tp_links')\" style=\"cursor:pointer;\">CHARACTERIZATION OF THE P(+)L(N), ION-MOLECULE CLUSTERS OF THE FIRST-ROW AND SECOND-ROW HYDRIDES<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 116, <\/span><span class=\"tp_pub_additional_number\">no. 23, <\/span><span class=\"tp_pub_additional_pages\">pp. 10670-10678, <\/span><span class=\"tp_pub_additional_year\">1994<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Lopez, x irigoras, a ugalde, jm cossio, fp \r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_558\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('558','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_558\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('558','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_558\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN241,<br \/>\r\ntitle = {CHARACTERIZATION OF THE P(+)L(N), ION-MOLECULE CLUSTERS OF THE FIRST-ROW AND SECOND-ROW HYDRIDES},<br \/>\r\nauthor = {X. Lopez and A. Irigoras and J. M. Ugalde and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1994PT13000036},<br \/>\r\ndoi = {10.1021\/ja00102a036},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {1994},<br \/>\r\ndate = {1994-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {116},<br \/>\r\nnumber = {23},<br \/>\r\npages = {10670-10678},<br \/>\r\nnote = {Lopez, x irigoras, a ugalde, jm cossio, fp <br \/>\r\nUgalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nUgalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('558','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_558\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1994PT13000036\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1994PT13000036\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1994PT13000036<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja00102a036\" title=\"Follow DOI:10.1021\/ja00102a036\" target=\"_blank\">doi:10.1021\/ja00102a036<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('558','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">14.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ugalde, J. M.;  Cossio, F. P.;  Largo, A.;  Barrientos, C.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('574','tp_links')\" style=\"cursor:pointer;\">TOPOLOGICAL ANALYSIS OF THE CHARGE-DENSITY FOR PHOSPHORUS ION-MOLECULE COMPLEXES BOUND TO WATER AND AMMONIA MOLECULES<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 98, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 3148-3153, <\/span><span class=\"tp_pub_additional_year\">1994<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Lopez, x ugalde, jm cossio, fp largo, a barrientos, c \r\nLargo, Antonio\/K-7746-2014; Ugalde, Jesus\/M-2771-2014; Barrientos, Carmen\/K-9698-2014; Largo, Antonio\/HGU-9456-2022; Lopez, Xabier\/G-5690-2015 \r\nLargo, Antonio\/0000-0003-4959-4850; Ugalde, Jesus\/0000-0001-8980-9751; Barrientos, Carmen\/0000-0003-0078-7379; Largo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_574\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('574','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_574\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('574','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_574\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN247,<br \/>\r\ntitle = {TOPOLOGICAL ANALYSIS OF THE CHARGE-DENSITY FOR PHOSPHORUS ION-MOLECULE COMPLEXES BOUND TO WATER AND AMMONIA MOLECULES},<br \/>\r\nauthor = {X. Lopez and J. M. Ugalde and F. P. Cossio and A. Largo and C. Barrientos},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1994NC78400017},<br \/>\r\ndoi = {10.1021\/j100063a017},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1994},<br \/>\r\ndate = {1994-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {98},<br \/>\r\nnumber = {12},<br \/>\r\npages = {3148-3153},<br \/>\r\nnote = {Lopez, x ugalde, jm cossio, fp largo, a barrientos, c <br \/>\r\nLargo, Antonio\/K-7746-2014; Ugalde, Jesus\/M-2771-2014; Barrientos, Carmen\/K-9698-2014; Largo, Antonio\/HGU-9456-2022; Lopez, Xabier\/G-5690-2015 <br \/>\r\nLargo, Antonio\/0000-0003-4959-4850; Ugalde, Jesus\/0000-0001-8980-9751; Barrientos, Carmen\/0000-0003-0078-7379; Largo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('574','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_574\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1994NC78400017\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1994NC78400017\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1994NC78400017<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100063a017\" title=\"Follow DOI:10.1021\/j100063a017\" target=\"_blank\">doi:10.1021\/j100063a017<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('574','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_1993\">1993<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">13.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Cossio, F.;  Lecea, B.;  Lopez, X.;  Roa, G.;  Arrieta, A.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('328','tp_links')\" style=\"cursor:pointer;\">AN AB-INITIO STUDY ON THE MECHANISM OF THE ALKENE ISOCYANATE CYCLOADDITION REACTION TO FORM BETA-LACTAMS<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the Chemical Society-Chemical Communications, <\/span><span class=\"tp_pub_additional_number\">no. 18, <\/span><span class=\"tp_pub_additional_pages\">pp. 1450-1452, <\/span><span class=\"tp_pub_additional_year\">1993<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-4936<\/span><span class=\"tp_pub_additional_note\">, (Cossio, f lecea, b lopez, x roa, g arrieta, a ugalde, jm \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122; Arrieta, Ana Jesus\/0000-0002-0580-2542)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_328\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('328','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_328\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('328','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_328\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN251,<br \/>\r\ntitle = {AN AB-INITIO STUDY ON THE MECHANISM OF THE ALKENE ISOCYANATE CYCLOADDITION REACTION TO FORM BETA-LACTAMS},<br \/>\r\nauthor = {F. Cossio and B. Lecea and X. Lopez and G. Roa and A. Arrieta and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1993LZ76200047},<br \/>\r\ndoi = {10.1039\/c39930001450},<br \/>\r\nissn = {0022-4936},<br \/>\r\nyear  = {1993},<br \/>\r\ndate = {1993-01-01},<br \/>\r\njournal = {Journal of the Chemical Society-Chemical Communications},<br \/>\r\nnumber = {18},<br \/>\r\npages = {1450-1452},<br \/>\r\nnote = {Cossio, f lecea, b lopez, x roa, g arrieta, a ugalde, jm <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122; Arrieta, Ana Jesus\/0000-0002-0580-2542},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('328','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_328\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LZ76200047\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LZ76200047\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1993LZ76200047<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/c39930001450\" title=\"Follow DOI:10.1039\/c39930001450\" target=\"_blank\">doi:10.1039\/c39930001450<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('328','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">12.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Cossio, F. P.;  Ugalde, J. M.;  Lopez, X.;  Lecea, B.;  Palomo, C.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('331','tp_links')\" style=\"cursor:pointer;\">A SEMIEMPIRICAL THEORETICAL-STUDY ON THE FORMATION OF BETA-LACTAMS FROM KETENES AND IMINES<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of the American Chemical Society, <\/span><span class=\"tp_pub_additional_volume\">vol. 115, <\/span><span class=\"tp_pub_additional_number\">no. 3, <\/span><span class=\"tp_pub_additional_pages\">pp. 995-1004, <\/span><span class=\"tp_pub_additional_year\">1993<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0002-7863<\/span><span class=\"tp_pub_additional_note\">, (Cossio, fp ugalde, jm lopez, x lecea, b palomo, c \r\nPalomo, Claudio\/E-6993-2018; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nPalomo, Claudio\/0000-0001-9809-2799; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_331\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('331','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_331\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('331','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_331\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN257,<br \/>\r\ntitle = {A SEMIEMPIRICAL THEORETICAL-STUDY ON THE FORMATION OF BETA-LACTAMS FROM KETENES AND IMINES},<br \/>\r\nauthor = {F. P. Cossio and J. M. Ugalde and X. Lopez and B. Lecea and C. Palomo},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1993KL71600026},<br \/>\r\ndoi = {10.1021\/ja00056a026},<br \/>\r\nissn = {0002-7863},<br \/>\r\nyear  = {1993},<br \/>\r\ndate = {1993-01-01},<br \/>\r\njournal = {Journal of the American Chemical Society},<br \/>\r\nvolume = {115},<br \/>\r\nnumber = {3},<br \/>\r\npages = {995-1004},<br \/>\r\nnote = {Cossio, fp ugalde, jm lopez, x lecea, b palomo, c <br \/>\r\nPalomo, Claudio\/E-6993-2018; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nPalomo, Claudio\/0000-0001-9809-2799; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('331','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_331\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1993KL71600026\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1993KL71600026\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1993KL71600026<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/ja00056a026\" title=\"Follow DOI:10.1021\/ja00056a026\" target=\"_blank\">doi:10.1021\/ja00056a026<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('331','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">11.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Sarasola, C.;  Lecea, B.;  Largo, A.;  Barrientos, C.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('569','tp_links')\" style=\"cursor:pointer;\">ABINITIO CHARACTERIZATION OF GASEOUS P2O2<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 97, <\/span><span class=\"tp_pub_additional_number\">no. 16, <\/span><span class=\"tp_pub_additional_pages\">pp. 4078-4079, <\/span><span class=\"tp_pub_additional_year\">1993<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Lopez, x sarasola, c lecea, b largo, a barrientos, c ugalde, jm \r\nLargo, Antonio\/HGU-9456-2022; Barrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Largo, Antonio\/K-7746-2014 \r\nLargo, Antonio\/0000-0003-4959-4850; Barrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Largo, Antonio\/0000-0003-4959-4850)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_569\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('569','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_569\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('569','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_569\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN255,<br \/>\r\ntitle = {ABINITIO CHARACTERIZATION OF GASEOUS P2O2},<br \/>\r\nauthor = {X. Lopez and C. Sarasola and B. Lecea and A. Largo and C. Barrientos and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1993KY46600025},<br \/>\r\ndoi = {10.1021\/j100118a024},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1993},<br \/>\r\ndate = {1993-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {97},<br \/>\r\nnumber = {16},<br \/>\r\npages = {4078-4079},<br \/>\r\nnote = {Lopez, x sarasola, c lecea, b largo, a barrientos, c ugalde, jm <br \/>\r\nLargo, Antonio\/HGU-9456-2022; Barrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014; Lopez, Xabier\/G-5690-2015; Largo, Antonio\/K-7746-2014 <br \/>\r\nLargo, Antonio\/0000-0003-4959-4850; Barrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Lopez, Xabier\/0000-0002-2711-3588; Largo, Antonio\/0000-0003-4959-4850},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('569','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_569\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1993KY46600025\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1993KY46600025\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1993KY46600025<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100118a024\" title=\"Follow DOI:10.1021\/j100118a024\" target=\"_blank\">doi:10.1021\/j100118a024<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('569','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">10.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ugalde, J. M.;  Barrientos, C.;  Largo, A.;  Redondo, P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('572','tp_links')\" style=\"cursor:pointer;\">THEORETICAL-STUDY OF POSSIBLE PROCESSES FOR THE INTERSTELLAR PRODUCTION OF PHOSPHORUS-COMPOUNDS - REACTION OF P+ WITH SH2<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 97, <\/span><span class=\"tp_pub_additional_number\">no. 8, <\/span><span class=\"tp_pub_additional_pages\">pp. 1521-1525, <\/span><span class=\"tp_pub_additional_year\">1993<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Lopez, x ugalde, jm barrientos, c largo, a redondo, p \r\nLargo, Antonio\/K-7746-2014; Redondo, Pilar\/K-8304-2014; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/HGU-9456-2022; Barrientos, Carmen\/K-9698-2014 \r\nLargo, Antonio\/0000-0003-4959-4850; Redondo, Pilar\/0000-0001-7876-4818; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; Barrientos, Carmen\/0000-0003-0078-7379)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_572\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('572','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_572\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('572','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_572\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN256,<br \/>\r\ntitle = {THEORETICAL-STUDY OF POSSIBLE PROCESSES FOR THE INTERSTELLAR PRODUCTION OF PHOSPHORUS-COMPOUNDS - REACTION OF P+ WITH SH2},<br \/>\r\nauthor = {X. Lopez and J. M. Ugalde and C. Barrientos and A. Largo and P. Redondo},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1993KP60300011},<br \/>\r\ndoi = {10.1021\/j100110a011},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1993},<br \/>\r\ndate = {1993-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {97},<br \/>\r\nnumber = {8},<br \/>\r\npages = {1521-1525},<br \/>\r\nnote = {Lopez, x ugalde, jm barrientos, c largo, a redondo, p <br \/>\r\nLargo, Antonio\/K-7746-2014; Redondo, Pilar\/K-8304-2014; Lopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/HGU-9456-2022; Barrientos, Carmen\/K-9698-2014 <br \/>\r\nLargo, Antonio\/0000-0003-4959-4850; Redondo, Pilar\/0000-0001-7876-4818; Lopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; Barrientos, Carmen\/0000-0003-0078-7379},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('572','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_572\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1993KP60300011\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1993KP60300011\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1993KP60300011<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100110a011\" title=\"Follow DOI:10.1021\/j100110a011\" target=\"_blank\">doi:10.1021\/j100110a011<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('572','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">9.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lopez, X.;  Ugalde, J. M.;  Cossio, F. P.;  Lecea, B.;  Largo, A.;  Barrientos, C.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('575','tp_links')\" style=\"cursor:pointer;\">AB-INITIO STUDY OF PHOSPHORUS ION COMPLEXES OF AMMONIA AND WATER<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 97, <\/span><span class=\"tp_pub_additional_number\">no. 37, <\/span><span class=\"tp_pub_additional_pages\">pp. 9337-9340, <\/span><span class=\"tp_pub_additional_year\">1993<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Lopez, x ugalde, jm cossio, fp lecea, b largo, a barrientos, c \r\nLargo, Antonio\/HGU-9456-2022; Lopez, Xabier\/G-5690-2015; Barrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/K-7746-2014 \r\nLargo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588; Barrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_575\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('575','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_575\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('575','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_575\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN253,<br \/>\r\ntitle = {AB-INITIO STUDY OF PHOSPHORUS ION COMPLEXES OF AMMONIA AND WATER},<br \/>\r\nauthor = {X. Lopez and J. M. Ugalde and F. P. Cossio and B. Lecea and A. Largo and C. Barrientos},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1993LY47200014},<br \/>\r\ndoi = {10.1021\/j100139a014},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1993},<br \/>\r\ndate = {1993-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {97},<br \/>\r\nnumber = {37},<br \/>\r\npages = {9337-9340},<br \/>\r\nnote = {Lopez, x ugalde, jm cossio, fp lecea, b largo, a barrientos, c <br \/>\r\nLargo, Antonio\/HGU-9456-2022; Lopez, Xabier\/G-5690-2015; Barrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/K-7746-2014 <br \/>\r\nLargo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588; Barrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('575','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_575\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LY47200014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LY47200014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1993LY47200014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100139a014\" title=\"Follow DOI:10.1021\/j100139a014\" target=\"_blank\">doi:10.1021\/j100139a014<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('575','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">8.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Maiz, J.;  Arrieta, A.;  Lopez, X.;  Ugalde, J. M.;  Cossio, F. P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('597','tp_links')\" style=\"cursor:pointer;\">TRANSITION STRUCTURES FOR THE REFORMATSKY REACTION - A THEORETICAL (MNDO-PM3) STUDY<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Tetrahedron Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 34, <\/span><span class=\"tp_pub_additional_number\">no. 38, <\/span><span class=\"tp_pub_additional_pages\">pp. 6111-6114, <\/span><span class=\"tp_pub_additional_year\">1993<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0040-4039<\/span><span class=\"tp_pub_additional_note\">, (Maiz, j arrieta, a lopez, x ugalde, jm cossio, fp \r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 \r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Arrieta, Ana Jesus\/0000-0002-0580-2542; Cossio, Fernando P.\/0000-0002-4526-2122)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_597\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('597','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_597\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('597','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_597\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN252,<br \/>\r\ntitle = {TRANSITION STRUCTURES FOR THE REFORMATSKY REACTION - A THEORETICAL (MNDO-PM3) STUDY},<br \/>\r\nauthor = {J. Maiz and A. Arrieta and X. Lopez and J. M. Ugalde and F. P. Cossio},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1993LY25600037},<br \/>\r\ndoi = {10.1016\/s0040-4039(00)61743-4},<br \/>\r\nissn = {0040-4039},<br \/>\r\nyear  = {1993},<br \/>\r\ndate = {1993-01-01},<br \/>\r\njournal = {Tetrahedron Letters},<br \/>\r\nvolume = {34},<br \/>\r\nnumber = {38},<br \/>\r\npages = {6111-6114},<br \/>\r\nnote = {Maiz, j arrieta, a lopez, x ugalde, jm cossio, fp <br \/>\r\nLopez, Xabier\/G-5690-2015; Ugalde, Jesus\/M-2771-2014 <br \/>\r\nLopez, Xabier\/0000-0002-2711-3588; Ugalde, Jesus\/0000-0001-8980-9751; Arrieta, Ana Jesus\/0000-0002-0580-2542; Cossio, Fernando P.\/0000-0002-4526-2122},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('597','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_597\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LY25600037\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LY25600037\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1993LY25600037<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/s0040-4039(00)61743-4\" title=\"Follow DOI:10.1016\/s0040-4039(00)61743-4\" target=\"_blank\">doi:10.1016\/s0040-4039(00)61743-4<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('597','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">7.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Sarasola, C.;  Lopez, X.;  Arrieta, A.;  Barrientos, C.;  Largo, A.;  Ugalde, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('751','tp_links')\" style=\"cursor:pointer;\">ABINITIO CHARACTERIZATION OF NOVEL GASEOUS (PO)2+ SPECIES<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Journal of Physical Chemistry, <\/span><span class=\"tp_pub_additional_volume\">vol. 97, <\/span><span class=\"tp_pub_additional_number\">no. 22, <\/span><span class=\"tp_pub_additional_pages\">pp. 5860-5863, <\/span><span class=\"tp_pub_additional_year\">1993<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0022-3654<\/span><span class=\"tp_pub_additional_note\">, (Sarasola, c lopez, x arrieta, a barrientos, c largo, a ugalde, jm \r\nBarrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/HGU-9456-2022; Largo, Antonio\/K-7746-2014; Lopez, Xabier\/G-5690-2015 \r\nBarrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_751\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('751','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_751\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('751','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_751\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN254,<br \/>\r\ntitle = {ABINITIO CHARACTERIZATION OF NOVEL GASEOUS (PO)2+ SPECIES},<br \/>\r\nauthor = {C. Sarasola and X. Lopez and A. Arrieta and C. Barrientos and A. Largo and J. M. Ugalde},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:A1993LE95100013},<br \/>\r\ndoi = {10.1021\/j100124a013},<br \/>\r\nissn = {0022-3654},<br \/>\r\nyear  = {1993},<br \/>\r\ndate = {1993-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry},<br \/>\r\nvolume = {97},<br \/>\r\nnumber = {22},<br \/>\r\npages = {5860-5863},<br \/>\r\nnote = {Sarasola, c lopez, x arrieta, a barrientos, c largo, a ugalde, jm <br \/>\r\nBarrientos, Carmen\/K-9698-2014; Ugalde, Jesus\/M-2771-2014; Largo, Antonio\/HGU-9456-2022; Largo, Antonio\/K-7746-2014; Lopez, Xabier\/G-5690-2015 <br \/>\r\nBarrientos, Carmen\/0000-0003-0078-7379; Ugalde, Jesus\/0000-0001-8980-9751; Largo, Antonio\/0000-0003-4959-4850; Largo, Antonio\/0000-0003-4959-4850; Lopez, Xabier\/0000-0002-2711-3588},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('751','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_751\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"fas fa-globe\"><\/i><a class=\"tp_pub_list\" href=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LE95100013\" title=\"&lt;Go to ISI&gt;:\/\/WOS:A1993LE95100013\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:A1993LE95100013<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/j100124a013\" title=\"Follow DOI:10.1021\/j100124a013\" target=\"_blank\">doi:10.1021\/j100124a013<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('751','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr>\r\n                    <td colspan=\"2\">\r\n                        <h3 class=\"tp_h3\" id=\"tp_h3_0000\">0000<\/h3>\r\n                    <\/td>\r\n                <\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">2.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lanuza, Jose;  Sanchez-Gonzalez, \u00c1ngel;  Lopez, Xabier;  Gil, Adria<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('905','tp_links')\" style=\"cursor:pointer;\">How can polyoxometalates have phosphodiesterase Activity? Unravelling the catalytic effect of heptamolybdate in the hydrolysis of phosphodiester models<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Inorganic Chemistry Communications, <\/span><span class=\"tp_pub_additional_volume\">vol. 174, <\/span><span class=\"tp_pub_additional_year\">0000<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1387-7003<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_905\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('905','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_905\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('905','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_905\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Lanuza2025,<br \/>\r\ntitle = {How can polyoxometalates have phosphodiesterase Activity? Unravelling the catalytic effect of heptamolybdate in the hydrolysis of phosphodiester models},<br \/>\r\nauthor = {Jose Lanuza and \u00c1ngel Sanchez-Gonzalez and Xabier Lopez and Adria Gil},<br \/>\r\ndoi = {10.1016\/j.inoche.2025.113908},<br \/>\r\nissn = {1387-7003},<br \/>\r\njournal = {Inorganic Chemistry Communications},<br \/>\r\nvolume = {174},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('905','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_905\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.inoche.2025.113908\" title=\"Follow DOI:10.1016\/j.inoche.2025.113908\" target=\"_blank\">doi:10.1016\/j.inoche.2025.113908<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('905','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">1.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luna, Emelin;  Olazabal, Ion; de Somer, Tobias;  Nachtergaele, Pieter;  Lopez, Xabier;  Ximenis, Marta; de Meester, Steven;  Sardon, Haritz<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('929','tp_links')\" style=\"cursor:pointer;\">Solvent switch strategy to facilitate the downstream process of chemical recycling of plastics<\/a> (<span class=\"tp_pub_type tp_  article\">Journal Article<\/span>)<\/p><p class=\"tp_pub_additional\"><span class=\"tp_pub_additional_in\">In: <\/span><span class=\"tp_pub_additional_journal\">Resources, Conservation and Recycling, <\/span><span class=\"tp_pub_additional_volume\">vol. 226, <\/span><span class=\"tp_pub_additional_year\">0000<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0921-3449<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_929\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('929','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_929\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('929','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_929\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Luna2026,<br \/>\r\ntitle = {Solvent switch strategy to facilitate the downstream process of chemical recycling of plastics},<br \/>\r\nauthor = {Emelin Luna and Ion Olazabal and Tobias de Somer and Pieter Nachtergaele and Xabier Lopez and Marta Ximenis and Steven de Meester and Haritz Sardon},<br \/>\r\ndoi = {10.1016\/j.resconrec.2025.108686},<br \/>\r\nissn = {0921-3449},<br \/>\r\njournal = {Resources, Conservation and Recycling},<br \/>\r\nvolume = {226},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('929','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_929\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.resconrec.2025.108686\" title=\"Follow DOI:10.1016\/j.resconrec.2025.108686\" target=\"_blank\">doi:10.1016\/j.resconrec.2025.108686<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('929','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><\/table><\/div>\n","protected":false},"excerpt":{"rendered":"<p>biokt<\/p>\n","protected":false},"author":1,"featured_media":22077,"template":"","meta":{"_acf_changed":true},"role":[],"class_list":["post-494","reserchers","type-reserchers","status-publish","has-post-thumbnail","hentry"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/reserchers\/494","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/reserchers"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/reserchers"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/1"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media\/22077"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=494"}],"wp:term":[{"taxonomy":"role","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/role?post=494"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}