{"id":532,"date":"2003-07-12T01:43:00","date_gmt":"2003-07-11T23:43:00","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/wordpress\/?p=532"},"modified":"2026-03-09T08:28:08","modified_gmt":"2026-03-09T07:28:08","slug":"dr-txoni-matxain","status":"publish","type":"reserchers","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/","title":{"rendered":"Prof. Jon M. Matxain"},"content":{"rendered":"\n<ul class=\"wp-block-list\">\n<li><strong>Twitter:<\/strong> <a href=\"https:\/\/twitter.com\/TxoniMatxain\">@TxoniMatxain<\/a><script>\/\/ <![CDATA[ !function(d,s,id){var js,fjs=d.getElementsByTagName(s)[0];if(!d.getElementById(id)){js=d.createElement(s);js.id=id;js.src=\"\/\/platform.twitter.com\/widgets.js\";fjs.parentNode.insertBefore(js,fjs);}}(document,\"script\",\"twitter-wjs\"); \/ \/\/ ]]><\/script><\/li>\n<\/ul>\n\n\n\n<p><strong>Main Research Interest<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Polymeric Materials<\/li>\n\n\n\n<li>Homogeneous Catalysis<\/li>\n\n\n\n<li>Photochemistry<\/li>\n<\/ul>\n\n\n\n<p><strong>Scientific Career<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>2016-present: Permanent Senior Researcher at the University of the Basque Country, Donostia, Basque Country.<\/li>\n\n\n\n<li>2014-2016: Senior Researcher at the University of the Basque Country, Donostia, Basque Country.<\/li>\n\n\n\n<li>2009-2013: &nbsp; Ramon y Cajal Fellowship granted at the University of the Basque Country, Donostia, Basque Country.<\/li>\n\n\n\n<li>2007-2008: &nbsp; Postdoc position in the Theoretical Chemistry Group at the University of the Basque Country, Donostia, Basque Country.<\/li>\n\n\n\n<li>2005-2006: Postdoc position in the Biophysical Chemistry Group at the University of Orebro, Sweden.<\/li>\n\n\n\n<li>2003-2004: Postdoc position in the Theoretical Chemistry Group at the University of the Basque Country, Donostia, Basque Country.<\/li>\n\n\n\n<li>1998-2002.: PhD position in the Theoretical Chemistry Group at the University of the Basque Country, Donostia, Basque Country.<\/li>\n\n\n\n<li>1996-1998: Undergraduate student in the Theoretical Chemistry Group, Utrecht University, The Netherlands.<\/li>\n<\/ul>\n\n\n\n<p><\/p>\n\n\n\n<p><strong>General Quality Indicators (01-08-2023)<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>&nbsp;<b>Research Periods<\/b> (1 period = 6 years): 4<\/li>\n\n\n\n<li><b>Supervised PhD Thesis<\/b>: 7<\/li>\n\n\n\n<li><b>Supervised Master Thesis<\/b>: 9<\/li>\n\n\n\n<li><b>Supervised Final Year Works<\/b>: 22<\/li>\n\n\n\n<li><b>H index<\/b>: 32 (WOS); 33 (Scopus)<\/li>\n\n\n\n<li><b>i50 Index<\/b>: 21 (WOS); 22 (Scopus)<\/li>\n\n\n\n<li><b>i10 Index<\/b>: 74 (WOS); 75 (Scopus)<\/li>\n<\/ul>\n\n\n\n<p><strong>Publication List<\/strong><\/p>\n\n\n<div class=\"teachpress_pub_list\"><form name=\"tppublistform\" method=\"get\"><a name=\"tppubs\" id=\"tppubs\"><\/a><div class=\"tp_search_input\"><input name=\"tsr\" id=\"tp_search_input_field\" type=\"search\" placeholder=\"Enter search word\" value=\"\" tabindex=\"1\"\/><\/div><div class=\"teachpress_filter\"><select class=\"block\" title=\"All years\" name=\"yr\" id=\"yr\" tabindex=\"2\">\r\n                   <option value=\"\">All years<\/option>\r\n                   <option value=\"2026\" >2026<\/option><option value=\"2025\" >2025<\/option><option value=\"2024\" >2024<\/option><option value=\"2023\" >2023<\/option><option value=\"2022\" >2022<\/option><option value=\"2021\" >2021<\/option><option value=\"2020\" >2020<\/option><option value=\"2019\" >2019<\/option><option value=\"2018\" >2018<\/option><option value=\"2017\" >2017<\/option><option value=\"2016\" >2016<\/option><option value=\"2015\" >2015<\/option><option value=\"2014\" >2014<\/option><option value=\"2013\" >2013<\/option><option value=\"2012\" >2012<\/option><option value=\"2011\" >2011<\/option><option value=\"2010\" >2010<\/option><option value=\"2009\" >2009<\/option><option value=\"2008\" >2008<\/option><option value=\"2007\" >2007<\/option><option value=\"2006\" >2006<\/option><option value=\"2005\" >2005<\/option><option value=\"2004\" >2004<\/option><option value=\"2003\" >2003<\/option><option value=\"2002\" >2002<\/option><option value=\"2001\" >2001<\/option><option value=\"2000\" >2000<\/option><option value=\"1999\" >1999<\/option><option value=\"1998\" >1998<\/option><option value=\"1997\" >1997<\/option><option value=\"1996\" >1996<\/option><option value=\"1995\" >1995<\/option><option value=\"1994\" >1994<\/option><option value=\"1993\" >1993<\/option><option value=\"1992\" >1992<\/option><option value=\"1991\" >1991<\/option><option value=\"1990\" >1990<\/option><option value=\"1989\" >1989<\/option><option value=\"1988\" >1988<\/option><option value=\"1987\" >1987<\/option><option value=\"1985\" >1985<\/option><option value=\"0000\" >0000<\/option>\r\n                <\/select><select class=\"block\" title=\"All tags\" name=\"tgid\" id=\"tgid\" tabindex=\"4\">\r\n                   <option value=\"\">All tags<\/option>\r\n                   <option value=\"32\" >Bio-KT<\/option><option value=\"36\" >EJ1584<\/option><option value=\"37\" >IT2067<\/option><option value=\"31\" >MatCat-ExMat<\/option><option value=\"28\" >MatCat-HetCatEl<\/option><option value=\"26\" >MatCat-KT<\/option><option value=\"30\" >MatCat-NanoSurf<\/option><option value=\"17\" >Materials Chemistry<\/option><option value=\"35\" >MolEles-KT<\/option><option value=\"34\" >NOFT<\/option><option value=\"39\" >POL-KT<\/option><option value=\"38\" >QCD-KT<\/option><option value=\"7\" >Spectroscopy<\/option><option value=\"27\" >SUS-KT<\/option>\r\n                <\/select><select class=\"block\" title=\"All authors\" name=\"auth\" id=\"auth\" tabindex=\"5\">\r\n                   <option value=\"\">All authors<\/option>\r\n                   <option value=\"23\" > Matxain, J. M.<\/option><option value=\"1020\" > Matxain, Jon M.<\/option>\r\n                <\/select><div class=\"teachpress_search_button\"><input name=\"tps_button\" class=\"tp_search_button\" type=\"submit\" tabindex=\"10\" value=\"Search\"\/><\/div><\/div><\/form><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">117 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 6 <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?limit=6&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><table class=\"teachpress_publication_list\"><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">117.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gastearena, Xuban;  Ruip\u00e9rez, Fernando;  Barroso-Bujans, Fabienne;  Lam, Anabel;  Matxain, Jon M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1310','tp_links')\" style=\"cursor:pointer;\">An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps<\/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\">Polymer, <\/span><span class=\"tp_pub_additional_volume\">vol. 350, <\/span><span class=\"tp_pub_additional_number\">no. 129792, <\/span><span class=\"tp_pub_additional_year\">2026<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 0032-3861<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_1310\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1310','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1310\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1310','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1310\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gastearena2026,<br \/>\r\ntitle = {An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps},<br \/>\r\nauthor = {Xuban Gastearena and Fernando Ruip\u00e9rez and Fabienne Barroso-Bujans and Anabel Lam and Jon M. Matxain},<br \/>\r\ndoi = {10.1016\/j.polymer.2026.129792},<br \/>\r\nissn = {0032-3861},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-04-02},<br \/>\r\nurldate = {2026-04-02},<br \/>\r\njournal = {Polymer},<br \/>\r\nvolume = {350},<br \/>\r\nnumber = {129792},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {POL-KT},<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('1310','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1310\" 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.polymer.2026.129792\" title=\"Follow DOI:10.1016\/j.polymer.2026.129792\" target=\"_blank\">doi:10.1016\/j.polymer.2026.129792<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1310','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\"> Calvo, Unai;  Matxain, Jon M.;  Egurrola, Jose Javier;  Burgoa, Aizeti;  Ruip\u00e9rez, Fernando<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('942','tp_links')\" style=\"cursor:pointer;\">Polymer-metal oxide interfaces in XHNBR\/PA6 blends: computational insights toward sustainable crosslinking<\/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 Adv., <\/span><span class=\"tp_pub_additional_volume\">vol. 16, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 9167\u20139179, <\/span><span class=\"tp_pub_additional_year\">2026<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2046-2069<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_942\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Calvo2026,<br \/>\r\ntitle = {Polymer-metal oxide interfaces in XHNBR\/PA6 blends: computational insights toward sustainable crosslinking},<br \/>\r\nauthor = {Unai Calvo and Jon M. Matxain and Jose Javier Egurrola and Aizeti Burgoa and Fernando Ruip\u00e9rez},<br \/>\r\ndoi = {10.1039\/d5ra09279e},<br \/>\r\nissn = {2046-2069},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-11},<br \/>\r\njournal = {RSC Adv.},<br \/>\r\nvolume = {16},<br \/>\r\nnumber = {10},<br \/>\r\npages = {9167--9179},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides.<\/jats:p>},<br \/>\r\nkeywords = {IT2067, POL-KT},<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('942','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_942\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_942\" 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\/d5ra09279e\" title=\"Follow DOI:10.1039\/d5ra09279e\" target=\"_blank\">doi:10.1039\/d5ra09279e<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><tr class=\"tp_publication tp_publication_article\"><td class=\"tp_pub_number\">115.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gastearena, Xuban;  Matxain, Jon M.;  Ruip\u00e9rez, Fernando<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('902','tp_links')\" style=\"cursor:pointer;\">Exploring N<sub>2<\/sub> activation using novel Lewis acid\/base pairs: computational insight into frustrated Lewis pair reactivity<\/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 Trans., <\/span><span class=\"tp_pub_additional_volume\">vol. 54, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 4338\u20134352, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1477-9234<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_902\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('902','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_902\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('902','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_902\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('902','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_902\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gastearena2025,<br \/>\r\ntitle = {Exploring N_{2} activation using novel Lewis acid\/base pairs: computational insight into frustrated Lewis pair reactivity},<br \/>\r\nauthor = {Xuban Gastearena and Jon M. Matxain and Fernando Ruip\u00e9rez},<br \/>\r\ndoi = {10.1039\/d4dt03425b},<br \/>\r\nissn = {1477-9234},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-03-04},<br \/>\r\njournal = {Dalton Trans.},<br \/>\r\nvolume = {54},<br \/>\r\nnumber = {10},<br \/>\r\npages = {4338--4352},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>Geometrically constrained transition metal-free Lewis acids effectively capture N<jats:sub>2<\/jats:sub> and Lewis bases help activate it through a \u201cpush\u2013pull\u201d mechanism. Triptycene-based and phosphine-based FLPs represent the most promising candidates for N<jats:sub>2<\/jats:sub> activation.<\/jats:p>},<br \/>\r\nkeywords = {EJ1584, POL-KT},<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('902','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_902\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Geometrically constrained transition metal-free Lewis acids effectively capture N<jats:sub>2<\/jats:sub> and Lewis bases help activate it through a \u201cpush\u2013pull\u201d mechanism. Triptycene-based and phosphine-based FLPs represent the most promising candidates for N<jats:sub>2<\/jats:sub> activation.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('902','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_902\" 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\/d4dt03425b\" title=\"Follow DOI:10.1039\/d4dt03425b\" target=\"_blank\">doi:10.1039\/d4dt03425b<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('902','tp_links')\">Close<\/a><\/p><\/div><\/td><\/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\"> Gastearena, Xuban;  Barroso-Bujans, Fabienne;  Ruip\u00e9rez, Fernando;  Matxain, Jon M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('903','tp_links')\" style=\"cursor:pointer;\">Computational Analysis of the Lewis Acid-Catalyzed Zwitterionic Ring-Expansion Polymerization (ZREP) of Monosubstituted Ethylene Oxide<\/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. Org. Chem., <\/span><span class=\"tp_pub_additional_volume\">vol. 90, <\/span><span class=\"tp_pub_additional_number\">no. 7, <\/span><span class=\"tp_pub_additional_pages\">pp. 2592\u20132601, <\/span><span class=\"tp_pub_additional_year\">2025<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6904<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_903\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('903','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_903\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('903','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_903\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gastearena2025b,<br \/>\r\ntitle = {Computational Analysis of the Lewis Acid-Catalyzed Zwitterionic Ring-Expansion Polymerization (ZREP) of Monosubstituted Ethylene Oxide},<br \/>\r\nauthor = {Xuban Gastearena and Fabienne Barroso-Bujans and Fernando Ruip\u00e9rez and Jon M. Matxain},<br \/>\r\ndoi = {10.1021\/acs.joc.4c02264},<br \/>\r\nissn = {1520-6904},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-02-21},<br \/>\r\njournal = {J. Org. Chem.},<br \/>\r\nvolume = {90},<br \/>\r\nnumber = {7},<br \/>\r\npages = {2592--2601},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {EJ1584, POL-KT},<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('903','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_903\" 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.joc.4c02264\" title=\"Follow DOI:10.1021\/acs.joc.4c02264\" target=\"_blank\">doi:10.1021\/acs.joc.4c02264<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('903','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\"> Pagnacco, Carlo Andrea;  Gastearena, Xuban; de San Rom\u00e1n, Estibaliz Gonz\u00e1lez;  Matxain, Jon M.;  Barroso\u2010Bujans, Fabienne<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('871','tp_links')\" style=\"cursor:pointer;\">Zwitterionic ring expansion polymerization of <i>tert<\/i>\u2010butyl glycidyl ether with <scp>B(C<sub>6<\/sub>F<sub>5<\/sub>)<sub>3<\/sub><\/scp> towards the generation of cyclic 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 Polymer Science, <\/span><span class=\"tp_pub_additional_volume\">vol. 62, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 2704\u20132715, <\/span><span class=\"tp_pub_additional_year\">2024<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2642-4169<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_871\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('871','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_871\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('871','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_871\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('871','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_871\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Pagnacco2024,<br \/>\r\ntitle = {Zwitterionic ring expansion polymerization of \\textit{tert}\u2010butyl glycidyl ether with <scp>B(C_{6}F_{5})_{3}<\/scp> towards the generation of cyclic chains},<br \/>\r\nauthor = {Carlo Andrea Pagnacco and Xuban Gastearena and Estibaliz Gonz\u00e1lez de San Rom\u00e1n and Jon M. Matxain and Fabienne Barroso\u2010Bujans},<br \/>\r\ndoi = {10.1002\/pol.20240112},<br \/>\r\nissn = {2642-4169},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-06-15},<br \/>\r\njournal = {Journal of Polymer Science},<br \/>\r\nvolume = {62},<br \/>\r\nnumber = {12},<br \/>\r\npages = {2704--2715},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {<jats:title>Abstract<\/jats:title><jats:p>The synthesis of cyclic polymers via zwitterionic ring expansion polymerization is limited to a few number of monomer and catalyst pairs. Herein we report the synthesis of cyclic poly(<jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether) through the polymerization of <jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether (tBGE) with B(C<jats:sub>6<\/jats:sub>F<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub> in different reaction conditions that include different solvents, monomer to initiator ratio, monomer concentration and temperature. We found that bimodal molecular weight distribution is formed in almost all reaction conditions caused by cyclization of short chains. Subsequent chain elongation leads to the formation of cycles of higher molecular weight, particularly in cyclohexane and under bulk conditions. The formation of non\u2010cyclic byproducts is common in all the systems investigated. Low molecular weight cyclic chains (M<jats:sub>n<\/jats:sub>\u2009=\u20090.7\u2009kDa, \u00d0\u2009=\u20091.1) of high topological purity were successfully isolated by preparative gel permeation chromatography. By using a click scavenging protocol, the non\u2010cyclic byproducts were eliminated from the high molecular weight fraction (M<jats:sub>n<\/jats:sub>\u2009=\u20093\u2009kDa, \u00d0\u2009=\u20091.3) generating pure cyclic chains. Mechanistic investigation using density functional theory calculations was performed on the formation of zwitterionic intermediates and the transfer reaction to the monomer, which notably affects chain growth by the attack of the glycidyl oxygen of the monomer on the growing chain.<\/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('871','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_871\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:title>Abstract<\/jats:title><jats:p>The synthesis of cyclic polymers via zwitterionic ring expansion polymerization is limited to a few number of monomer and catalyst pairs. Herein we report the synthesis of cyclic poly(<jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether) through the polymerization of <jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether (tBGE) with B(C<jats:sub>6<\/jats:sub>F<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub> in different reaction conditions that include different solvents, monomer to initiator ratio, monomer concentration and temperature. We found that bimodal molecular weight distribution is formed in almost all reaction conditions caused by cyclization of short chains. Subsequent chain elongation leads to the formation of cycles of higher molecular weight, particularly in cyclohexane and under bulk conditions. The formation of non\u2010cyclic byproducts is common in all the systems investigated. Low molecular weight cyclic chains (M<jats:sub>n<\/jats:sub>\u2009=\u20090.7\u2009kDa, \u00d0\u2009=\u20091.1) of high topological purity were successfully isolated by preparative gel permeation chromatography. By using a click scavenging protocol, the non\u2010cyclic byproducts were eliminated from the high molecular weight fraction (M<jats:sub>n<\/jats:sub>\u2009=\u20093\u2009kDa, \u00d0\u2009=\u20091.3) generating pure cyclic chains. Mechanistic investigation using density functional theory calculations was performed on the formation of zwitterionic intermediates and the transfer reaction to the monomer, which notably affects chain growth by the attack of the glycidyl oxygen of the monomer on the growing chain.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('871','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_871\" 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\/pol.20240112\" title=\"Follow DOI:10.1002\/pol.20240112\" target=\"_blank\">doi:10.1002\/pol.20240112<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('871','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\"> Izu, Asier E.;  Matxain, Jon M.;  Casanova, David<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('872','tp_links')\" style=\"cursor:pointer;\">Reverse intersystem crossing mechanisms in doped triangulenes<\/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. 26, <\/span><span class=\"tp_pub_additional_number\">no. 15, <\/span><span class=\"tp_pub_additional_pages\">pp. 11459\u201311468, <\/span><span class=\"tp_pub_additional_year\">2024<\/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_872\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('872','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_872\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('872','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_872\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('872','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=35\" title=\"Show all publications which have a relationship to this tag\">MolEles-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_872\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Izu2024,<br \/>\r\ntitle = {Reverse intersystem crossing mechanisms in doped triangulenes},<br \/>\r\nauthor = {Asier E. Izu and Jon M. Matxain and David Casanova},<br \/>\r\ndoi = {10.1039\/d4cp00304g},<br \/>\r\nissn = {1463-9084},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-04-17},<br \/>\r\njournal = {Phys. Chem. Chem. Phys.},<br \/>\r\nvolume = {26},<br \/>\r\nnumber = {15},<br \/>\r\npages = {11459--11468},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>Electronic structure calculations suggest that reverse intersystem crossing in B and N-doped triangulenes can occur <jats:italic>via<\/jats:italic> both direct (spin\u2013orbit coupling) and mediated (spin\u2013vibronic coupling) mechanisms.<\/jats:p>},<br \/>\r\nkeywords = {MolEles-KT},<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('872','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_872\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Electronic structure calculations suggest that reverse intersystem crossing in B and N-doped triangulenes can occur <jats:italic>via<\/jats:italic> both direct (spin\u2013orbit coupling) and mediated (spin\u2013vibronic coupling) mechanisms.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('872','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_872\" 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\/d4cp00304g\" title=\"Follow DOI:10.1039\/d4cp00304g\" target=\"_blank\">doi:10.1039\/d4cp00304g<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('872','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\"> Matxain, Jon M.;  Huertos, Miguel A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('852','tp_links')\" style=\"cursor:pointer;\">Hydrogen Tunneling in Stoichiometric and Catalytic Reactions involving Transition Metals<\/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\">ChemCatChem, <\/span><span class=\"tp_pub_additional_volume\">vol. 15, <\/span><span class=\"tp_pub_additional_number\">no. 24, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1867-3899<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_852\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('852','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_852\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('852','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_852\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('852','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_852\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Matxain2023,<br \/>\r\ntitle = {Hydrogen Tunneling in Stoichiometric and Catalytic Reactions involving Transition Metals},<br \/>\r\nauthor = {Jon M. Matxain and Miguel A. Huertos},<br \/>\r\ndoi = {10.1002\/cctc.202300962},<br \/>\r\nissn = {1867-3899},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-12-19},<br \/>\r\njournal = {ChemCatChem},<br \/>\r\nvolume = {15},<br \/>\r\nnumber = {24},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {<jats:title>Abstract<\/jats:title><jats:p>Hydrogen tunneling is a type of quantum tunneling in which a hydrogen atom passes through a potential barrier without reaching the transition state governed by classical mechanics. The participation of hydrogen tunneling in a chemical reaction (stoichiometric or catalytic) can result in the formation of products that without this phenomenon would be impossible to achieve or would be formed in a very slow way. This concept paper aims to review some of the most representative examples of transition\u2010metal mediated chemical reactions involving hydrogen tunneling. The experimental tools to determine the possibility of the participation of quantum tunneling in a chemical reaction are presented. In addition, the theoretical methods that have been developed to calculate the effect of quantum tunneling on chemical reactions are discussed. Finally, from a personal perspective, the steps to be taken in order to predict and implement this phenomenon are proposed.<\/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('852','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_852\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:title>Abstract<\/jats:title><jats:p>Hydrogen tunneling is a type of quantum tunneling in which a hydrogen atom passes through a potential barrier without reaching the transition state governed by classical mechanics. The participation of hydrogen tunneling in a chemical reaction (stoichiometric or catalytic) can result in the formation of products that without this phenomenon would be impossible to achieve or would be formed in a very slow way. This concept paper aims to review some of the most representative examples of transition\u2010metal mediated chemical reactions involving hydrogen tunneling. The experimental tools to determine the possibility of the participation of quantum tunneling in a chemical reaction are presented. In addition, the theoretical methods that have been developed to calculate the effect of quantum tunneling on chemical reactions are discussed. Finally, from a personal perspective, the steps to be taken in order to predict and implement this phenomenon are proposed.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('852','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_852\" 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\/cctc.202300962\" title=\"Follow DOI:10.1002\/cctc.202300962\" target=\"_blank\">doi:10.1002\/cctc.202300962<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('852','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\"> Prieto-Pascual, Unai;  Alli, I\u00f1igo V.;  Bustos, Itxaso;  Vitorica-Yrezabal, I\u00f1igo J.;  Matxain, Jon M.;  Freixa, Zoraida;  Huertos, Miguel A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('865','tp_links')\" style=\"cursor:pointer;\">Air-Stable 14-Electron Rhodium(III) Complexes Bearing Si,N Ligands as Catalysts in Hydrolysis 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\">Organometallics, <\/span><span class=\"tp_pub_additional_volume\">vol. 42, <\/span><span class=\"tp_pub_additional_number\">no. 20, <\/span><span class=\"tp_pub_additional_pages\">pp. 2991\u20132998, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-6041<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_865\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('865','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_865\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('865','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_865\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Prieto-Pascual2023,<br \/>\r\ntitle = {Air-Stable 14-Electron Rhodium(III) Complexes Bearing Si,N Ligands as Catalysts in Hydrolysis of Silanes},<br \/>\r\nauthor = {Unai Prieto-Pascual and I\u00f1igo V. Alli and Itxaso Bustos and I\u00f1igo J. Vitorica-Yrezabal and Jon M. Matxain and Zoraida Freixa and Miguel A. Huertos},<br \/>\r\ndoi = {10.1021\/acs.organomet.3c00324},<br \/>\r\nissn = {1520-6041},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-10-23},<br \/>\r\njournal = {Organometallics},<br \/>\r\nvolume = {42},<br \/>\r\nnumber = {20},<br \/>\r\npages = {2991--2998},<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('865','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_865\" 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.organomet.3c00324\" title=\"Follow DOI:10.1021\/acs.organomet.3c00324\" target=\"_blank\">doi:10.1021\/acs.organomet.3c00324<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('865','tp_links')\">Close<\/a><\/p><\/div><\/td><\/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\"> Dalmau, David;  Crespo, Olga;  Matxain, Jon M.;  Urriolabeitia, Esteban P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('838','tp_links')\" style=\"cursor:pointer;\">Fluorescence Amplification of Unsaturated Oxazolones Using Palladium: Photophysical and Computational Studies<\/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\">Inorg. Chem., <\/span><span class=\"tp_pub_additional_volume\">vol. 62, <\/span><span class=\"tp_pub_additional_number\">no. 25, <\/span><span class=\"tp_pub_additional_pages\">pp. 9792\u20139806, <\/span><span class=\"tp_pub_additional_year\">2023<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1520-510X<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_838\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('838','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_838\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('838','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_838\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Dalmau2023,<br \/>\r\ntitle = {Fluorescence Amplification of Unsaturated Oxazolones Using Palladium: Photophysical and Computational Studies},<br \/>\r\nauthor = {David Dalmau and Olga Crespo and Jon M. Matxain and Esteban P. Urriolabeitia},<br \/>\r\ndoi = {10.1021\/acs.inorgchem.3c00601},<br \/>\r\nissn = {1520-510X},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-06-26},<br \/>\r\njournal = {Inorg. Chem.},<br \/>\r\nvolume = {62},<br \/>\r\nnumber = {25},<br \/>\r\npages = {9792--9806},<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('838','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_838\" 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.inorgchem.3c00601\" title=\"Follow DOI:10.1021\/acs.inorgchem.3c00601\" target=\"_blank\">doi:10.1021\/acs.inorgchem.3c00601<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('838','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\"> 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> | <span class=\"tp_pub_tags_label\">Tags: <\/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\">107.<\/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> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>)<\/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 = {EJ1584},<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\">106.<\/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> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>)<\/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 = {EJ1584},<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\">105.<\/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> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>)<\/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 = {EJ1584},<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\">104.<\/td><td class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Irigoyen, M.;  Matxain, J. M.;  Ruiperez, F.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('500','tp_links')\" style=\"cursor:pointer;\">Combined DFT and MD Simulation Protocol to Characterize Self-Healing Properties in Disulfide-Containing Materials: Polyurethanes and Polymethacrylates as Case Studies<\/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\">Frontiers in Materials, <\/span><span class=\"tp_pub_additional_volume\">vol. 9, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2296-8016<\/span><span class=\"tp_pub_additional_note\">, (Irigoyen, Mikel Matxain, Jon M. Ruiperez, Fernando \r\nMatxain, Jon M.\/J-8184-2014 \r\nMatxain, Jon M.\/0000-0002-6342-0649)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_500\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('500','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_500\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('500','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_500\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN405,<br \/>\r\ntitle = {Combined DFT and MD Simulation Protocol to Characterize Self-Healing Properties in Disulfide-Containing Materials: Polyurethanes and Polymethacrylates as Case Studies},<br \/>\r\nauthor = {M. Irigoyen and J. M. Matxain and F. Ruiperez},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000779641000001},<br \/>\r\ndoi = {10.3389\/fmats.2022.859482},<br \/>\r\nissn = {2296-8016},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Frontiers in Materials},<br \/>\r\nvolume = {9},<br \/>\r\nnote = {Irigoyen, Mikel Matxain, Jon M. Ruiperez, Fernando <br \/>\r\nMatxain, Jon M.\/J-8184-2014 <br \/>\r\nMatxain, Jon M.\/0000-0002-6342-0649},<br \/>\r\nkeywords = {EJ1584, POL-KT},<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('500','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_500\" 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:000779641000001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000779641000001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000779641000001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.3389\/fmats.2022.859482\" title=\"Follow DOI:10.3389\/fmats.2022.859482\" target=\"_blank\">doi:10.3389\/fmats.2022.859482<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('500','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\"> Rogolino, A.;  Claes, N.;  Cizaurre, J.;  Marauri, A.;  Jumbo-Nogales, A.;  Lawera, Z.;  Kruse, J.;  Sanroman-Iglesias, M.;  Zarketa, I.;  Calvo, U.;  Jimenez-Izal, E.;  Rakovich, Y. P.;  Bals, S.;  Matxain, J. M.;  Grzelczak, M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('726','tp_links')\" style=\"cursor:pointer;\">Metal-Polymer Heterojunction in Colloidal-Phase Plasmonic 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 Physical Chemistry Letters, <\/span><span class=\"tp_pub_additional_volume\">vol. 13, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_pages\">pp. 2264-2272, <\/span><span class=\"tp_pub_additional_year\">2022<\/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_726\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('726','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_726\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('726','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_726\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN406,<br \/>\r\ntitle = {Metal-Polymer Heterojunction in Colloidal-Phase Plasmonic Catalysis},<br \/>\r\nauthor = {A. Rogolino and N. Claes and J. Cizaurre and A. Marauri and A. Jumbo-Nogales and Z. Lawera and J. Kruse and M. Sanroman-Iglesias and I. Zarketa and U. Calvo and E. Jimenez-Izal and Y. P. Rakovich and S. Bals and J. M. Matxain and M. Grzelczak},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000776518000001},<br \/>\r\ndoi = {10.1021\/acs.jpclett.1c04242},<br \/>\r\nissn = {1948-7185},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\nurldate = {2022-01-01},<br \/>\r\njournal = {Journal of Physical Chemistry Letters},<br \/>\r\nvolume = {13},<br \/>\r\nnumber = {10},<br \/>\r\npages = {2264-2272},<br \/>\r\nkeywords = {EJ1584},<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('726','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_726\" 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:000776518000001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000776518000001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000776518000001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpclett.1c04242\" title=\"Follow DOI:10.1021\/acs.jpclett.1c04242\" target=\"_blank\">doi:10.1021\/acs.jpclett.1c04242<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('726','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\"> Andrade-Sampedro, P.;  Matxain, J. M.;  Correa, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('297','tp_links')\" style=\"cursor:pointer;\">Ru-Catalyzed C-H Hydroxylation of Tyrosine-Containing Di- and Tripeptides toward the Assembly of L-DOPA Derivatives<\/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\">Advanced Synthesis &amp; Catalysis, <\/span><span class=\"tp_pub_additional_volume\">vol. 364, <\/span><span class=\"tp_pub_additional_number\">no. 12, <\/span><span class=\"tp_pub_additional_pages\">pp. 2072-2079, <\/span><span class=\"tp_pub_additional_year\">2022<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 1615-4150<\/span><span class=\"tp_pub_additional_note\">, (Andrade-Sampedro, Paula Matxain, Jon M. Correa, Arkaitz \r\nCorrea, Arkaitz\/GQH-5958-2022; Correa, Arkaitz\/B-4620-2014; Correa, Arkaitz\/K-5787-2019; Matxain, Jon M.\/J-8184-2014 \r\nCorrea, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Andrade-Sampedro, Paula\/0000-0002-6643-1052; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1615-4169)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_297\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('297','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_297\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('297','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_297\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN404,<br \/>\r\ntitle = {Ru-Catalyzed C-H Hydroxylation of Tyrosine-Containing Di- and Tripeptides toward the Assembly of L-DOPA Derivatives},<br \/>\r\nauthor = {P. Andrade-Sampedro and J. M. Matxain and A. Correa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000796768400001},<br \/>\r\ndoi = {10.1002\/adsc.202200234},<br \/>\r\nissn = {1615-4150},<br \/>\r\nyear  = {2022},<br \/>\r\ndate = {2022-01-01},<br \/>\r\njournal = {Advanced Synthesis & Catalysis},<br \/>\r\nvolume = {364},<br \/>\r\nnumber = {12},<br \/>\r\npages = {2072-2079},<br \/>\r\nnote = {Andrade-Sampedro, Paula Matxain, Jon M. Correa, Arkaitz <br \/>\r\nCorrea, Arkaitz\/GQH-5958-2022; Correa, Arkaitz\/B-4620-2014; Correa, Arkaitz\/K-5787-2019; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nCorrea, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Andrade-Sampedro, Paula\/0000-0002-6643-1052; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n1615-4169},<br \/>\r\nkeywords = {EJ1584},<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('297','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_297\" 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:000796768400001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000796768400001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000796768400001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/adsc.202200234\" title=\"Follow DOI:10.1002\/adsc.202200234\" target=\"_blank\">doi:10.1002\/adsc.202200234<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('297','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\"> Andrade-Sampedro, P.;  Matxain, J. M.;  Correa, A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('296','tp_links')\" style=\"cursor:pointer;\">Pd-Catalyzed C(sp(2))-H Alkoxycarbonylation of Phenethyl- and Benzylamines with Chloroformates as CO Surrogates<\/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. 18, <\/span><span class=\"tp_pub_additional_pages\">pp. 5782-5789, <\/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\">, (Andrade-Sampedro, Paula Matxain, Jon M. Correa, Arkaitz \r\nCorrea, Arkaitz\/K-5787-2019; Correa, Arkaitz\/B-4620-2014; Correa, Arkaitz\/GQH-5958-2022; Matxain, Jon M.\/J-8184-2014 \r\nCorrea, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Andrade-Sampedro, Paula\/0000-0002-6643-1052; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1521-3765)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_296\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('296','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_296\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('296','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_296\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN410,<br \/>\r\ntitle = {Pd-Catalyzed C(sp(2))-H Alkoxycarbonylation of Phenethyl- and Benzylamines with Chloroformates as CO Surrogates},<br \/>\r\nauthor = {P. Andrade-Sampedro and J. M. Matxain and A. Correa},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000624031900001},<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 = {18},<br \/>\r\npages = {5782-5789},<br \/>\r\nnote = {Andrade-Sampedro, Paula Matxain, Jon M. Correa, Arkaitz <br \/>\r\nCorrea, Arkaitz\/K-5787-2019; Correa, Arkaitz\/B-4620-2014; Correa, Arkaitz\/GQH-5958-2022; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nCorrea, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Correa, Arkaitz\/0000-0002-9004-3842; Andrade-Sampedro, Paula\/0000-0002-6643-1052; Matxain, Jon M.\/0000-0002-6342-0649 <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('296','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_296\" 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:000624031900001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000624031900001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000624031900001<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('296','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\"> Jimenez-Izal, E.;  Luzuriaga, I. O.;  Ramos-Cordoba, E.;  Matxain, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('511','tp_links')\" style=\"cursor:pointer;\">Role of Dispersion Interactions in Endohedral TM@(ZnS)(12) 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\">Acs Omega, <\/span><span class=\"tp_pub_additional_volume\">vol. 6, <\/span><span class=\"tp_pub_additional_number\">no. 25, <\/span><span class=\"tp_pub_additional_pages\">pp. 16612-16622, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2470-1343<\/span><span class=\"tp_pub_additional_note\">, (Jimenez-Izal, Elisa Ortiz de Luzuriaga, Iker Ramos-Cordoba, Eloy Matxain, Jon M. \r\nRamos-Cordoba, Eloy\/D-2830-2013; Jimenez-Izal, Elisa\/AAB-1990-2019; Ortiz de Luzuriaga, Iker\/A-8392-2019; Matxain, Jon M.\/J-8184-2014 \r\nRamos-Cordoba, Eloy\/0000-0002-6558-7821; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Matxain, Jon M.\/0000-0002-6342-0649; Jimenez-Izal, Elisa\/0000-0003-1127-2100)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_511\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('511','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_511\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('511','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_511\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN408,<br \/>\r\ntitle = {Role of Dispersion Interactions in Endohedral TM@(ZnS)(12) Structures},<br \/>\r\nauthor = {E. Jimenez-Izal and I. O. Luzuriaga and E. Ramos-Cordoba and J. M. Matxain},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000670306400040},<br \/>\r\ndoi = {10.1021\/acsomega.1c02016},<br \/>\r\nissn = {2470-1343},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Acs Omega},<br \/>\r\nvolume = {6},<br \/>\r\nnumber = {25},<br \/>\r\npages = {16612-16622},<br \/>\r\nnote = {Jimenez-Izal, Elisa Ortiz de Luzuriaga, Iker Ramos-Cordoba, Eloy Matxain, Jon M. <br \/>\r\nRamos-Cordoba, Eloy\/D-2830-2013; Jimenez-Izal, Elisa\/AAB-1990-2019; Ortiz de Luzuriaga, Iker\/A-8392-2019; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nRamos-Cordoba, Eloy\/0000-0002-6558-7821; Ortiz de Luzuriaga, Iker\/0000-0001-6475-3472; Matxain, Jon M.\/0000-0002-6342-0649; Jimenez-Izal, Elisa\/0000-0003-1127-2100},<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('511','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_511\" 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:000670306400040\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000670306400040\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000670306400040<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acsomega.1c02016\" title=\"Follow DOI:10.1021\/acsomega.1c02016\" target=\"_blank\">doi:10.1021\/acsomega.1c02016<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('511','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\"> Galdeano, M.;  Ruiperez, F.;  Matxain, J. M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('381','tp_links')\" style=\"cursor:pointer;\">Theoretical Characterization of New Frustrated Lewis Pairs for Responsive Materials<\/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\">Polymers, <\/span><span class=\"tp_pub_additional_volume\">vol. 13, <\/span><span class=\"tp_pub_additional_number\">no. 10, <\/span><span class=\"tp_pub_additional_year\">2021<\/span><span class=\"tp_pub_additional_note\">, (Galdeano, Maialen Ruiperez, Fernando Matxain, Jon M. \r\n; Matxain, Jon M.\/J-8184-2014 \r\nGaldeano Fraile, Maialen\/0000-0001-8814-5359; Matxain, Jon M.\/0000-0002-6342-0649 \r\n2073-4360)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_381\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('381','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_381\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('381','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_381\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN409,<br \/>\r\ntitle = {Theoretical Characterization of New Frustrated Lewis Pairs for Responsive Materials},<br \/>\r\nauthor = {M. Galdeano and F. Ruiperez and J. M. Matxain},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000655156500001},<br \/>\r\ndoi = {10.3390\/polym13101573},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Polymers},<br \/>\r\nvolume = {13},<br \/>\r\nnumber = {10},<br \/>\r\nnote = {Galdeano, Maialen Ruiperez, Fernando Matxain, Jon M. <br \/>\r\n; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nGaldeano Fraile, Maialen\/0000-0001-8814-5359; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n2073-4360},<br \/>\r\nkeywords = {POL-KT},<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('381','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_381\" 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:000655156500001\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000655156500001\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000655156500001<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.3390\/polym13101573\" title=\"Follow DOI:10.3390\/polym13101573\" target=\"_blank\">doi:10.3390\/polym13101573<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('381','tp_links')\">Close<\/a><\/p><\/div><\/td><\/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\"> Zubeltzu, J.;  Matxain, J. M.;  Rezabal, E.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('829','tp_links')\" style=\"cursor:pointer;\">Computational approach to (ZnS)i nanoclusters in ionic liquids<\/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 E, <\/span><span class=\"tp_pub_additional_volume\">vol. 104, <\/span><span class=\"tp_pub_additional_number\">no. 2, <\/span><span class=\"tp_pub_additional_year\">2021<\/span>, <span class=\"tp_pub_additional_issn\">ISSN: 2470-0045<\/span><span class=\"tp_pub_additional_note\">, (Zubeltzu, Jon Matxain, Jon M. Rezabal, Elixabete \r\n; Matxain, Jon M.\/J-8184-2014 \r\nZubeltzu, Jon\/0000-0003-0659-2978; Matxain, Jon M.\/0000-0002-6342-0649 \r\n2470-0053)<\/span>.<\/p><p class=\"tp_pub_menu\">(<span class=\"tp_resource_link\"><a id=\"tp_links_sh_829\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('829','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_829\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('829','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?tgid=27\" title=\"Show all publications which have a relationship to this tag\">SUS-KT<\/a>)<\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_829\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{RN407,<br \/>\r\ntitle = {Computational approach to (ZnS)i nanoclusters in ionic liquids},<br \/>\r\nauthor = {J. Zubeltzu and J. M. Matxain and E. Rezabal},<br \/>\r\nurl = {&lt;Go to ISI&gt;:\/\/WOS:000685537800014},<br \/>\r\ndoi = {10.1103\/PhysRevE.104.024604},<br \/>\r\nissn = {2470-0045},<br \/>\r\nyear  = {2021},<br \/>\r\ndate = {2021-01-01},<br \/>\r\njournal = {Physical Review E},<br \/>\r\nvolume = {104},<br \/>\r\nnumber = {2},<br \/>\r\nnote = {Zubeltzu, Jon Matxain, Jon M. Rezabal, Elixabete <br \/>\r\n; Matxain, Jon M.\/J-8184-2014 <br \/>\r\nZubeltzu, Jon\/0000-0003-0659-2978; Matxain, Jon M.\/0000-0002-6342-0649 <br \/>\r\n2470-0053},<br \/>\r\nkeywords = {SUS-KT},<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('829','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_829\" 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:000685537800014\" title=\"&lt;Go to ISI&gt;:\/\/WOS:000685537800014\" target=\"_blank\">&lt;Go to ISI&gt;:\/\/WOS:000685537800014<\/a><\/li><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1103\/PhysRevE.104.024604\" title=\"Follow DOI:10.1103\/PhysRevE.104.024604\" target=\"_blank\">doi:10.1103\/PhysRevE.104.024604<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('829','tp_links')\">Close<\/a><\/p><\/div><\/td><\/tr><\/table><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">117 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 6 <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/dr-txoni-matxain\/?limit=6&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><\/div>\n","protected":false},"excerpt":{"rendered":"<p>polkt<\/p>\n","protected":false},"author":1,"featured_media":22085,"template":"","meta":{"_acf_changed":true},"role":[],"class_list":["post-532","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\/532","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\/22085"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=532"}],"wp:term":[{"taxonomy":"role","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/role?post=532"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}