{"id":490,"date":"2001-07-12T01:57:00","date_gmt":"2001-07-11T23:57:00","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/wordpress\/?p=490"},"modified":"2026-03-07T21:32:47","modified_gmt":"2026-03-07T20:32:47","slug":"prof-jesus-ugalde","status":"publish","type":"reserchers","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/reserchers\/prof-jesus-ugalde\/","title":{"rendered":"Prof. Jesus M. Ugalde"},"content":{"rendered":"\n

Contact Details:<\/strong><\/p>\n\n\n\n

Address:<\/strong> Kimika Fakultatea, Euskal Herriko Unibertsitatea
\nPK 1072, 20080, Donostia, Euskadi
\n E-mai<\/strong>l : jesus.ugalde [at] ehu.es<\/p>\n\n\n\n

Office<\/strong>:          +34-943-018190
\nLaboratory<\/strong>: +34-943-015341
\n Fax<\/strong>:              +34-943-015270
\n Secretary:<\/strong>   +34-943-018187<\/p>\n\n\n\n

Quantum chemistry and computer modeling have made a major impact on the chemist’s way of thinking and working. They have enjoyed the benefits of the remarkable achievements in computer technology and have reached to a point where they can provide results with an accuracy approaching that of the experiments with the freedom to consider rare or even “impossible” species and configurations which can hardly be accessible to experimental observation. In spite of its great usability, quantum chemistry is more than a collection of practical rules and recipes. It lies on strong foundations. The theory is based on the study of practical solutions to the Schrodinger equation, and this quest has enriched chemistry with a number of new concepts and interpretations that help in rationalizing the vast land of chemical knowledge. Concepts like electronic configuration, valence orbitals, resonance, \u03c3-\u03c0 separation, electron charge-transfer, electron correlation, etc., have been created in the course of quantum chemical research and many of them have been pivotal to develop the field.
\nOur research focuses of both aspects of quantum chemistry, development of new methodology and application of the methods to relevant chemical problems.<\/p>\n\n\n\n

Positions in the group are available for graduate students. Prospective postdoctoral fellows and sabbatical visitors should contact Professor Ugalde.<\/p>\n\n\n

<\/a><\/form>
276 entries<\/span> «<\/a> ‹<\/a> 1 of 6 ›<\/a> »<\/a> <\/div><\/div>\r\n \r\n \r\n \r\n \r\n \r\n \r\n \r\n \r\n \r\n
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2023<\/h3>\r\n <\/td>\r\n <\/tr>

276.<\/td>

Telleria-Allika, X.; Ugalde, J. M.; Matito, E.; Ramos-Cordoba, E.; Rodriuez-Mayorga, M.; Lopez, X.<\/p>

Aufbau principle and singlet-triplet gap in spherical Hooke atoms<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>International Journal of Quantum Chemistry, <\/span>vol. 123, <\/span>no. 3, <\/span>2023<\/span>, ISSN: 0020-7608<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

275.<\/td>

Telleria-Allika, X.; Mercero, J. M.; Ugalde, J. M.; Lopez, X.; Matxain, J. M.<\/p>

Few electron systems confined in Gaussian potential wells and connection to Hooke atoms<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>International Journal of Quantum Chemistry, <\/span>vol. 123, <\/span>no. 5, <\/span>2023<\/span>, ISSN: 0020-7608<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2022<\/h3>\r\n <\/td>\r\n <\/tr>

274.<\/td>

Aiello, C. D.; Abendroth, J. M.; Abbas, M.; Afanasev, A.; Agarwal, S.; Banerjee, A. S.; Beratan, D. N.; Belling, J. N.; Berche, B.; Botana, A.; Caram, J. R.; Celardo, G. L.; Cuniberti, G.; Garcia-Etxarri, A.; Dianat, A.; Diez-Perez, I.; Guo, Y. Q.; Gutierrez, R.; Herrmann, C.; Hihath, J.; Kale, S.; Kurian, P.; Lai, Y. C.; Liu, T. H.; Lopez, A.; Medina, E.; Mujica, V.; Naaman, R.; Noormandipour, M.; Palma, J. L.; Paltiel, Y.; Petuskey, W.; Ribeiro-Silva, J. C.; Saenz, J. J.; Santos, E. J. G.; Solyanik-Gorgone, M.; Sorger, V. J.; Stemer, D. M.; Ugalde, J. M.; Valdes-Curiel, A.; Varela, S.; Waldeck, D. H.; Wasielewski, M. R.; Weiss, P. S.; Zacharias, H.; Wang, Q. H.<\/p>

A Chirality-Based Quantum Leap<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Acs Nano, <\/span>vol. 16, <\/span>no. 4, <\/span>pp. 4989-5035, <\/span>2022<\/span>, ISSN: 1936-0851<\/span>, (Aiello, Clarice D. Abendroth, John M. Abbas, Muneer Afanasev, Andrei Agarwal, Shivang Banerjee, Amartya S. Beratan, David N. Belling, Jason N. Berche, Bertrand Botana, Antia Caram, Justin R. Celardo, Giuseppe Luca Cuniberti, Gianaurelio Garcia-Etxarri, Aitzol Dianat, Arezoo Diez-Perez, Ismael Guo, Yuqi Gutierrez, Rafael Herrmann, Carmen Hihath, Joshua Kale, Suneet Kurian, Philip Lai, Ying-Cheng Liu, Tianhan Lopez, Alexander Medina, Ernesto Mujica, Vladimiro Naaman, Ron Noormandipour, Mohammadreza Palma, Julio L. Paltiel, Yossi Petuskey, William Ribeiro-Silva, Joao Carlos Saenz, Juan Jose Santos, Elton J. G. Solyanik-Gorgone, Maria Sorger, Volker J. Stemer, Dominik M. Ugalde, Jesus M. Valdes-Curiel, Ana Varela, Solmar Waldeck, David H. Wasielewski, Michael R. Weiss, Paul S. Zacharias, Helmut Wang, Qing Hua \r\nBeratan, David N\/C-5098-2011; Santos, Elton JG\/C-5275-2009; Medina, Ernesto\/G-4398-2011; Wang, Qinghua\/GVT-3252-2022; Mujica, Vladimiro\/GNM-9273-2022; Ribeiro-Silva, Joao Carlos\/V-7251-2018; Garcia-Etxarri, Aitzol\/L-1965-2019; CUNIBERTI, Gianaurelio\/B-7192-2008; Ugalde, Jesus\/M-2771-2014 \r\nBeratan, David N\/0000-0003-4758-8676; Santos, Elton JG\/0000-0001-6065-5787; Medina, Ernesto\/0000-0002-1566-0170; Mujica, Vladimiro\/0000-0002-5237-4851; Ribeiro-Silva, Joao Carlos\/0000-0001-6350-2321; Garcia-Etxarri, Aitzol\/0000-0002-5867-2390; CUNIBERTI, Gianaurelio\/0000-0002-6574-7848; Ugalde, Jesus\/0000-0001-8980-9751; Varela, Solmar\/0000-0002-9608-0601; Zacharias, Helmut\/0000-0001-9807-1103; Solyanik-Gorgone, Maria\/0000-0002-3141-3364; Afanasev, Andrei\/0000-0003-0679-3307; Caram, Justin\/0000-0001-5126-3829; S. BOTANA, ANTIA\/0000-0001-5973-3039; Banerjee, Amartya\/0000-0001-5916-9167; AGARWAL, SHIVANG\/0000-0001-9231-5461; Stemer, Dominik\/0000-0002-5528-1773; Abendroth, John\/0000-0002-2369-4311 \r\n1936-086x)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

@article{RN4,
\r\ntitle = {A Chirality-Based Quantum Leap},
\r\nauthor = {C. D. Aiello and J. M. Abendroth and M. Abbas and A. Afanasev and S. Agarwal and A. S. Banerjee and D. N. Beratan and J. N. Belling and B. Berche and A. Botana and J. R. Caram and G. L. Celardo and G. Cuniberti and A. Garcia-Etxarri and A. Dianat and I. Diez-Perez and Y. Q. Guo and R. Gutierrez and C. Herrmann and J. Hihath and S. Kale and P. Kurian and Y. C. Lai and T. H. Liu and A. Lopez and E. Medina and V. Mujica and R. Naaman and M. Noormandipour and J. L. Palma and Y. Paltiel and W. Petuskey and J. C. Ribeiro-Silva and J. J. Saenz and E. J. G. Santos and M. Solyanik-Gorgone and V. J. Sorger and D. M. Stemer and J. M. Ugalde and A. Valdes-Curiel and S. Varela and D. H. Waldeck and M. R. Wasielewski and P. S. Weiss and H. Zacharias and Q. H. Wang},
\r\nurl = {<Go to ISI>:\/\/WOS:000813122700001},
\r\ndoi = {10.1021\/acsnano.1c01347},
\r\nissn = {1936-0851},
\r\nyear  = {2022},
\r\ndate = {2022-01-01},
\r\njournal = {Acs Nano},
\r\nvolume = {16},
\r\nnumber = {4},
\r\npages = {4989-5035},
\r\nnote = {Aiello, Clarice D. Abendroth, John M. Abbas, Muneer Afanasev, Andrei Agarwal, Shivang Banerjee, Amartya S. Beratan, David N. Belling, Jason N. Berche, Bertrand Botana, Antia Caram, Justin R. Celardo, Giuseppe Luca Cuniberti, Gianaurelio Garcia-Etxarri, Aitzol Dianat, Arezoo Diez-Perez, Ismael Guo, Yuqi Gutierrez, Rafael Herrmann, Carmen Hihath, Joshua Kale, Suneet Kurian, Philip Lai, Ying-Cheng Liu, Tianhan Lopez, Alexander Medina, Ernesto Mujica, Vladimiro Naaman, Ron Noormandipour, Mohammadreza Palma, Julio L. Paltiel, Yossi Petuskey, William Ribeiro-Silva, Joao Carlos Saenz, Juan Jose Santos, Elton J. G. Solyanik-Gorgone, Maria Sorger, Volker J. Stemer, Dominik M. Ugalde, Jesus M. Valdes-Curiel, Ana Varela, Solmar Waldeck, David H. Wasielewski, Michael R. Weiss, Paul S. Zacharias, Helmut Wang, Qing Hua 
\r\nBeratan, David N\/C-5098-2011; Santos, Elton JG\/C-5275-2009; Medina, Ernesto\/G-4398-2011; Wang, Qinghua\/GVT-3252-2022; Mujica, Vladimiro\/GNM-9273-2022; Ribeiro-Silva, Joao Carlos\/V-7251-2018; Garcia-Etxarri, Aitzol\/L-1965-2019; CUNIBERTI, Gianaurelio\/B-7192-2008; Ugalde, Jesus\/M-2771-2014 
\r\nBeratan, David N\/0000-0003-4758-8676; Santos, Elton JG\/0000-0001-6065-5787; Medina, Ernesto\/0000-0002-1566-0170; Mujica, Vladimiro\/0000-0002-5237-4851; Ribeiro-Silva, Joao Carlos\/0000-0001-6350-2321; Garcia-Etxarri, Aitzol\/0000-0002-5867-2390; CUNIBERTI, Gianaurelio\/0000-0002-6574-7848; Ugalde, Jesus\/0000-0001-8980-9751; Varela, Solmar\/0000-0002-9608-0601; Zacharias, Helmut\/0000-0001-9807-1103; Solyanik-Gorgone, Maria\/0000-0002-3141-3364; Afanasev, Andrei\/0000-0003-0679-3307; Caram, Justin\/0000-0001-5126-3829; S. BOTANA, ANTIA\/0000-0001-5973-3039; Banerjee, Amartya\/0000-0001-5916-9167; AGARWAL, SHIVANG\/0000-0001-9231-5461; Stemer, Dominik\/0000-0002-5528-1773; Abendroth, John\/0000-0002-2369-4311 
\r\n1936-086x},
\r\nkeywords = {},
\r\npubstate = {published},
\r\ntppubtype = {article}
\r\n}
\r\n<\/pre><\/div>
Close<\/a><\/p><\/div>
273.<\/td>

Aragones, A. C.; Aravena, D.; Ugalde, J. M.; Medina, E.; Gutierrez, R.; Ruiz, E.; Mujica, V.; Diez-Perez, I.<\/p>

Magnetoresistive Single-Molecule Junctions: the Role of the Spinterface and the CISS Effect<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Israel Journal of Chemistry, <\/span>vol. 62, <\/span>no. 11-12, <\/span>2022<\/span>, ISSN: 0021-2148<\/span>, (Aragones, Albert C. Aravena, Daniel Ugalde, Jesus M. Medina, Ernesto Gutierrez, Rafael Ruiz, Eliseo Mujica, Vladimiro Diez-Perez, Ismael \r\nUgalde, Jesus\/M-2771-2014; Aragon\u00e8s, Albert C.\/P-8182-2018; Diez-Perez, Ismael\/F-6402-2014 \r\nUgalde, Jesus\/0000-0001-8980-9751; Aragon\u00e8s, Albert C.\/0000-0002-1829-6941; Diez-Perez, Ismael\/0000-0003-0513-8888 \r\n1869-5868 \r\nSi)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

272.<\/td>

Huizi-Rayo, U.; Gastearena, X.; Ortuno, A. M.; Cuerva, J. M.; Rodriguez-Dieguez, A.; Garcia, J. A.; Ugalde, J.; Seco, J. M.; Sebastian, E. San; Cepeda, J.<\/p>

Influence of Tartrate Ligand Coordination over Luminescence Properties of Chiral Lanthanide-Based Metal-Organic Frameworks<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Nanomaterials, <\/span>vol. 12, <\/span>no. 22, <\/span>2022<\/span>, (Huizi-Rayo, Uxua Gastearena, Xuban Ortuno, Ana M. Cuerva, Juan M. Rodriguez-Dieguez, Antonio Garcia, Jose Angel Ugalde, Jesus Seco, Jose Manuel San Sebastian, Eider Cepeda, Javier \r\nRuiz, Javier Cepeda\/O-9648-2016; San Sebastian, Eider\/S-2637-2018; Seco, Jose Manuel\/S-2722-2018 \r\nRuiz, Javier Cepeda\/0000-0002-0147-1360; San Sebastian, Eider\/0000-0001-9263-9626; Seco, Jose Manuel\/0000-0002-5131-6764; Rodriguez Dieguez, Antonio\/0000-0003-3198-5378 \r\n2079-4991)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

271.<\/td>

Mercero, J. M.; Rezabal, E.; Ugalde, J. M.; Weiske, T.; Li, J. L.<\/p>

Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+, which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemphyschem, <\/span>vol. 23, <\/span>no. 5, <\/span>2022<\/span>, ISSN: 1439-4235<\/span>, (Mercero, Jose M. Rezabal, Elixabete Ugalde, Jesus M. Weiske, Thomas Li, Jilai \r\nMercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Li, Jilai\/M-5210-2013 \r\nMercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Li, Jilai\/0000-0002-3363-9164; Weiske, Thomas\/0000-0003-4756-2548 \r\n1439-7641)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2021<\/h3>\r\n <\/td>\r\n <\/tr>

270.<\/td>

Mercero, J. M.; Ugalde, J. M.; Piris, M.<\/p>

Chemical reactivity studies by the natural orbital functional second-order Moller-Plesset (NOF-MP2) method: water dehydrogenation by the scandium cation<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Theoretical Chemistry Accounts, <\/span>vol. 140, <\/span>no. 6, <\/span>2021<\/span>, ISSN: 1432-881X<\/span>, (Mercero, Jose M. Ugalde, Jesus M. Piris, Mario \r\nUgalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010; Mercero, Jose\/E-6828-2010 \r\nUgalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953; Mercero, Jose\/0000-0003-4857-6685 \r\n1432-2234)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

269.<\/td>

Ortuno, A. M.; Reine, P.; Resa, S.; Cienfuegos, L. A.; Blanco, V.; Paredes, J. M.; Mota, A. J.; Mazzeo, G.; Abbate, S.; Ugalde, J. M.; Mujica, V.; Longhi, G.; Miguel, D.; Cuerva, J. M.<\/p>

Extended enantiopure ortho-phenylene ethylene (o-OPE)-based helical systems as scaffolds for supramolecular architectures: a study of chiroptical response and its connection to the CISS effect<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Organic Chemistry Frontiers, <\/span>vol. 8, <\/span>no. 18, <\/span>pp. 5071-5086, <\/span>2021<\/span>, ISSN: 2052-4129<\/span>, (Ortuno, Ana M. Reine, Pablo Resa, Sandra Alvarez de Cienfuegos, Luis Blanco, Victor Paredes, Jose Manuel Mota, Antonio J. Mazzeo, Giuseppe Abbate, Sergio Ugalde, Jesus M. Mujica, Vladimiro Longhi, Giovanna Miguel, Delia Cuerva, Juan Manuel \r\nde Cienfuegos, Luis Alvarez\/K-2391-2014; Blanco, Victor\/K-4612-2014; Resa, Sandra\/Y-6356-2019; Mujica, Vladimiro\/GNM-9273-2022; Miguel, Delia\/K-4947-2014; Blanco, Victor\/ABF-9548-2021; M.Paredes, Jose\/M-3494-2014; Mazzeo, Giuseppe\/D-1984-2017; Ortu\u00f1o, Ana M.\/AGR-3100-2022; Ugalde, Jesus\/M-2771-2014 \r\nde Cienfuegos, Luis Alvarez\/0000-0001-8910-4241; Blanco, Victor\/0000-0002-6809-079X; Resa, Sandra\/0000-0003-1170-4268; Mujica, Vladimiro\/0000-0002-5237-4851; Blanco, Victor\/0000-0002-6809-079X; M.Paredes, Jose\/0000-0002-3252-9174; Mazzeo, Giuseppe\/0000-0002-3819-6438; Ugalde, Jesus\/0000-0001-8980-9751; ABBATE, Sergio\/0000-0001-9359-1214; Mota Avila, Antonio Jose\/0000-0001-6137-1006; Ortuno Guzman, Ana Maria\/0000-0001-8562-7248)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

@article{RN6,
\r\ntitle = {Extended enantiopure ortho-phenylene ethylene (o-OPE)-based helical systems as scaffolds for supramolecular architectures: a study of chiroptical response and its connection to the CISS effect},
\r\nauthor = {A. M. Ortuno and P. Reine and S. Resa and L. A. Cienfuegos and V. Blanco and J. M. Paredes and A. J. Mota and G. Mazzeo and S. Abbate and J. M. Ugalde and V. Mujica and G. Longhi and D. Miguel and J. M. Cuerva},
\r\nurl = {<Go to ISI>:\/\/WOS:000674051900001},
\r\ndoi = {10.1039\/d1qo00822f},
\r\nissn = {2052-4129},
\r\nyear  = {2021},
\r\ndate = {2021-01-01},
\r\njournal = {Organic Chemistry Frontiers},
\r\nvolume = {8},
\r\nnumber = {18},
\r\npages = {5071-5086},
\r\nnote = {Ortuno, Ana M. Reine, Pablo Resa, Sandra Alvarez de Cienfuegos, Luis Blanco, Victor Paredes, Jose Manuel Mota, Antonio J. Mazzeo, Giuseppe Abbate, Sergio Ugalde, Jesus M. Mujica, Vladimiro Longhi, Giovanna Miguel, Delia Cuerva, Juan Manuel 
\r\nde Cienfuegos, Luis Alvarez\/K-2391-2014; Blanco, Victor\/K-4612-2014; Resa, Sandra\/Y-6356-2019; Mujica, Vladimiro\/GNM-9273-2022; Miguel, Delia\/K-4947-2014; Blanco, Victor\/ABF-9548-2021; M.Paredes, Jose\/M-3494-2014; Mazzeo, Giuseppe\/D-1984-2017; Ortu\u00f1o, Ana M.\/AGR-3100-2022; Ugalde, Jesus\/M-2771-2014 
\r\nde Cienfuegos, Luis Alvarez\/0000-0001-8910-4241; Blanco, Victor\/0000-0002-6809-079X; Resa, Sandra\/0000-0003-1170-4268; Mujica, Vladimiro\/0000-0002-5237-4851; Blanco, Victor\/0000-0002-6809-079X; M.Paredes, Jose\/0000-0002-3252-9174; Mazzeo, Giuseppe\/0000-0002-3819-6438; Ugalde, Jesus\/0000-0001-8980-9751; ABBATE, Sergio\/0000-0001-9359-1214; Mota Avila, Antonio Jose\/0000-0001-6137-1006; Ortuno Guzman, Ana Maria\/0000-0001-8562-7248},
\r\nkeywords = {},
\r\npubstate = {published},
\r\ntppubtype = {article}
\r\n}
\r\n<\/pre><\/div>
Close<\/a><\/p><\/div>
268.<\/td>

Mercero, J. M.; Ugalde, J. M.<\/p>

Electronic Structure and Electron Delocalization in Bare and Dressed Boron Pentamer Clusters<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry A, <\/span>vol. 125, <\/span>no. 24, <\/span>pp. 5246-5255, <\/span>2021<\/span>, ISSN: 1089-5639<\/span>, (Mercero, Jose M. Ugalde, Jesus M. \r\nUgalde, Jesus\/M-2771-2014; Mercero, Jose\/E-6828-2010 \r\nUgalde, Jesus\/0000-0001-8980-9751; Mercero, Jose\/0000-0003-4857-6685 \r\n1520-5215)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2020<\/h3>\r\n <\/td>\r\n <\/tr>

267.<\/td>

Huizi-Rayo, U.; Gutierrez, J.; Seco, J. M.; Mujica, V.; Diez-Perez, I.; Ugalde, J. M.; Tercjak, A.; Cepeda, J.; Sebastian, E. San<\/p>

An Ideal Spin Filter: Long-Range, High-Spin Selectivity in Chiral Helicoidal 3-Dimensional Metal Organic Frameworks<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Nano Letters, <\/span>vol. 20, <\/span>no. 12, <\/span>pp. 8476-8482, <\/span>2020<\/span>, ISSN: 1530-6984<\/span>, (Huizi-Rayo, Uxua Gutierrez, Junkal Seco, Jose Manuel Mujica, Vladimiro Diez-Perez, Ismael Ugalde, Jesus M. Tercjak, Agnieszka Cepeda, Javier San Sebastian, Eider \r\nMujica, Vladimiro\/GNM-9273-2022; San Sebastian, Eider\/S-2637-2018; Seco, Jose Manuel\/S-2722-2018; Ugalde, Jesus\/M-2771-2014; Ruiz, Javier Cepeda\/O-9648-2016; Huizi-Rayo, Uxua\/ABD-2689-2020; Diez-Perez, Ismael\/F-6402-2014; Gutierrez, Junkal\/F-6200-2017 \r\nMujica, Vladimiro\/0000-0002-5237-4851; San Sebastian, Eider\/0000-0001-9263-9626; Seco, Jose Manuel\/0000-0002-5131-6764; Ugalde, Jesus\/0000-0001-8980-9751; Ruiz, Javier Cepeda\/0000-0002-0147-1360; Huizi-Rayo, Uxua\/0000-0002-2162-9516; Diez-Perez, Ismael\/0000-0003-0513-8888; Gutierrez, Junkal\/0000-0001-5553-0162; Tercjak, Agnieszka\/0000-0002-5277-1830 \r\n1530-6992)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

@article{RN9,
\r\ntitle = {An Ideal Spin Filter: Long-Range, High-Spin Selectivity in Chiral Helicoidal 3-Dimensional Metal Organic Frameworks},
\r\nauthor = {U. Huizi-Rayo and J. Gutierrez and J. M. Seco and V. Mujica and I. Diez-Perez and J. M. Ugalde and A. Tercjak and J. Cepeda and E. San Sebastian},
\r\nurl = {<Go to ISI>:\/\/WOS:000599507100010},
\r\ndoi = {10.1021\/acs.nanolett.0c02349},
\r\nissn = {1530-6984},
\r\nyear  = {2020},
\r\ndate = {2020-01-01},
\r\njournal = {Nano Letters},
\r\nvolume = {20},
\r\nnumber = {12},
\r\npages = {8476-8482},
\r\nnote = {Huizi-Rayo, Uxua Gutierrez, Junkal Seco, Jose Manuel Mujica, Vladimiro Diez-Perez, Ismael Ugalde, Jesus M. Tercjak, Agnieszka Cepeda, Javier San Sebastian, Eider 
\r\nMujica, Vladimiro\/GNM-9273-2022; San Sebastian, Eider\/S-2637-2018; Seco, Jose Manuel\/S-2722-2018; Ugalde, Jesus\/M-2771-2014; Ruiz, Javier Cepeda\/O-9648-2016; Huizi-Rayo, Uxua\/ABD-2689-2020; Diez-Perez, Ismael\/F-6402-2014; Gutierrez, Junkal\/F-6200-2017 
\r\nMujica, Vladimiro\/0000-0002-5237-4851; San Sebastian, Eider\/0000-0001-9263-9626; Seco, Jose Manuel\/0000-0002-5131-6764; Ugalde, Jesus\/0000-0001-8980-9751; Ruiz, Javier Cepeda\/0000-0002-0147-1360; Huizi-Rayo, Uxua\/0000-0002-2162-9516; Diez-Perez, Ismael\/0000-0003-0513-8888; Gutierrez, Junkal\/0000-0001-5553-0162; Tercjak, Agnieszka\/0000-0002-5277-1830 
\r\n1530-6992},
\r\nkeywords = {},
\r\npubstate = {published},
\r\ntppubtype = {article}
\r\n}
\r\n<\/pre><\/div>
Close<\/a><\/p><\/div>
266.<\/td>

Garcia-Etxarri, A.; Ugalde, J. M.; Saenz, J. J.; Mujica, V.<\/p>

Field-Mediated Chirality Information Transfer in Molecule-Nanoparticle Hybrids<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry C, <\/span>vol. 124, <\/span>no. 2, <\/span>pp. 1560-1565, <\/span>2020<\/span>, ISSN: 1932-7447<\/span>, (Garcia-Etxarri, Aitzol Ugalde, Jesus M. Jose Saenz, Juan Mujica, Vladimiro \r\nMujica, Vladimiro\/GNM-9273-2022; Ugalde, Jesus\/M-2771-2014; Garcia-Etxarri, Aitzol I\/B-7311-2008; Garcia-Etxarri, Aitzol\/L-1965-2019; Saenz, Juan Jose\/F-8871-2010 \r\nMujica, Vladimiro\/0000-0002-5237-4851; Ugalde, Jesus\/0000-0001-8980-9751; Garcia-Etxarri, Aitzol I\/0000-0002-5867-2390; Garcia-Etxarri, Aitzol\/0000-0002-5867-2390; Saenz, Juan Jose\/0000-0002-1411-5648 \r\n1932-7455)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

265.<\/td>

Sebastian, E. San; Cepeda, J.; Huizi-Rayo, U.; Terenzi, A.; Finkelstein-Shapiro, D.; Padro, D.; Santos, J. I.; Matxain, J. M.; Ugalde, J. M.; Mujica, V.<\/p>

Enantiospecific Response in Cross-Polarization Solid-State Nuclear Magnetic Resonance of Optically Active Metal Organic Frameworks<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of the American Chemical Society, <\/span>vol. 142, <\/span>no. 42, <\/span>pp. 17989-17996, <\/span>2020<\/span>, ISSN: 0002-7863<\/span>, (San Sebastian, Eider Cepeda, Javier Huizi-Rayo, Uxua Terenzi, Alessio Finkelstein-Shapiro, Daniel Padro, Daniel Santos, Jose Ignacio Matxain, Jon M. Ugalde, Jesus M. Mujica, Vladimiro \r\nSantos, Jos\u00e9 I.\/AAH-1969-2019; Terenzi, Alessio\/K-5525-2019; Ugalde, Jesus\/M-2771-2014; Padro, Daniel\/AAG-3529-2021; Ruiz, Javier Cepeda\/O-9648-2016; Huizi-Rayo, Uxua\/ABD-2689-2020; San Sebastian, Eider\/S-2637-2018; Mujica, Vladimiro\/GNM-9273-2022; Matxain, Jon M.\/J-8184-2014 \r\nSantos, Jos\u00e9 I.\/0000-0002-5199-2332; Terenzi, Alessio\/0000-0001-9751-1373; Ugalde, Jesus\/0000-0001-8980-9751; Padro, Daniel\/0000-0002-3932-9351; Ruiz, Javier Cepeda\/0000-0002-0147-1360; Huizi-Rayo, Uxua\/0000-0002-2162-9516; San Sebastian, Eider\/0000-0001-9263-9626; Mujica, Vladimiro\/0000-0002-5237-4851; Finkelstein Shapiro, Daniel\/0000-0001-8015-5376; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1520-5126)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

@article{RN10,
\r\ntitle = {Enantiospecific Response in Cross-Polarization Solid-State Nuclear Magnetic Resonance of Optically Active Metal Organic Frameworks},
\r\nauthor = {E. San Sebastian and J. Cepeda and U. Huizi-Rayo and A. Terenzi and D. Finkelstein-Shapiro and D. Padro and J. I. Santos and J. M. Matxain and J. M. Ugalde and V. Mujica},
\r\nurl = {<Go to ISI>:\/\/WOS:000580559000022},
\r\ndoi = {10.1021\/jacs.0c04537},
\r\nissn = {0002-7863},
\r\nyear  = {2020},
\r\ndate = {2020-01-01},
\r\njournal = {Journal of the American Chemical Society},
\r\nvolume = {142},
\r\nnumber = {42},
\r\npages = {17989-17996},
\r\nnote = {San Sebastian, Eider Cepeda, Javier Huizi-Rayo, Uxua Terenzi, Alessio Finkelstein-Shapiro, Daniel Padro, Daniel Santos, Jose Ignacio Matxain, Jon M. Ugalde, Jesus M. Mujica, Vladimiro 
\r\nSantos, Jos\u00e9 I.\/AAH-1969-2019; Terenzi, Alessio\/K-5525-2019; Ugalde, Jesus\/M-2771-2014; Padro, Daniel\/AAG-3529-2021; Ruiz, Javier Cepeda\/O-9648-2016; Huizi-Rayo, Uxua\/ABD-2689-2020; San Sebastian, Eider\/S-2637-2018; Mujica, Vladimiro\/GNM-9273-2022; Matxain, Jon M.\/J-8184-2014 
\r\nSantos, Jos\u00e9 I.\/0000-0002-5199-2332; Terenzi, Alessio\/0000-0001-9751-1373; Ugalde, Jesus\/0000-0001-8980-9751; Padro, Daniel\/0000-0002-3932-9351; Ruiz, Javier Cepeda\/0000-0002-0147-1360; Huizi-Rayo, Uxua\/0000-0002-2162-9516; San Sebastian, Eider\/0000-0001-9263-9626; Mujica, Vladimiro\/0000-0002-5237-4851; Finkelstein Shapiro, Daniel\/0000-0001-8015-5376; Matxain, Jon M.\/0000-0002-6342-0649 
\r\n1520-5126},
\r\nkeywords = {},
\r\npubstate = {published},
\r\ntppubtype = {article}
\r\n}
\r\n<\/pre><\/div>
Close<\/a><\/p><\/div>
\r\n

2019<\/h3>\r\n <\/td>\r\n <\/tr>

264.<\/td>

Mitxelena, I.; Piris, M.; Ugalde, J. M.<\/p>

Advances in approximate natural orbital functional theory<\/a> (Book Chapter<\/span>)<\/p>

In: <\/span> Ancarani, L. U.; Hoggan, P. E. (Ed.): State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, <\/span>vol. 79, <\/span>pp. 155-177, <\/span>2019<\/span>, ISBN: 978-0-12-816175-3; 978-0-12-816174-6<\/span>, (Mitxelena, Ion Piris, Mario Ugalde, Jesus M. \r\nUgalde, Jesus\/M-2771-2014; Piris, Mario\/E-7406-2010 \r\nUgalde, Jesus\/0000-0001-8980-9751; Piris, Mario\/0000-0003-0222-2953; MITXELENA, ION\/0000-0003-1064-5139 \r\n0065-3276)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

263.<\/td>

Szlapa, E. N.; Lopez, X.; Ugalde, J. M.<\/p>

Methane activation by alternant N2O2 (center dot+) and N2S2 (center dot+) cluster radical cations<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>International Journal of Mass Spectrometry, <\/span>vol. 438, <\/span>pp. 72-77, <\/span>2019<\/span>, ISSN: 1387-3806<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

262.<\/td>

Santos, J. I.; Rivilla, I.; Cossio, F. P.; Garcia-Garcia, F. J.; Matxain, J. M.; Grzeliczak, M.; Mazinani, S. K. S.; Ugalde, J. M.; Mujica, V.<\/p>

Reply to \"Comment on 'Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance'\"<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Acs Nano, <\/span>vol. 13, <\/span>no. 6, <\/span>pp. 6133-6136, <\/span>2019<\/span>, ISSN: 1936-0851<\/span>, (Santos, Jose I. Rivilla, Ivan Cossio, Fernando P. Javier Garcia-Garcia, F. Matxain, Jon M. Grzeliczak, Marek Mazinani, Shobeir K. S. Ugalde, Jesus M. Mujica, Vladimir \r\nMatxain, Jon M.\/J-8184-2014; Mujica, Vladimiro\/GNM-9273-2022; Santos, Jos\u00e9 I.\/AAH-1969-2019; Ugalde, Jesus\/M-2771-2014; Rivilla, Iv\u00e1n\/H-5643-2016 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Mujica, Vladimiro\/0000-0002-5237-4851; Santos, Jos\u00e9 I.\/0000-0002-5199-2332; Ugalde, Jesus\/0000-0001-8980-9751; Rivilla, Iv\u00e1n\/0000-0003-1984-7183; Cossio, Fernando P.\/0000-0002-4526-2122; Grzelczak, Marek\/0000-0002-3458-8450 \r\n1936-086x)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

261.<\/td>

Sandonas, L. M.; Mendez, A. R.; Gutierrez, R.; Ugalde, J. M.; Mujica, V.; Cuniberti, G.<\/p>

Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry C, <\/span>vol. 123, <\/span>no. 15, <\/span>pp. 9680-9687, <\/span>2019<\/span>, ISSN: 1932-7447<\/span>, (Sandonas, Leonardo Medrano Mendez, Alvaro Rodriguez Gutierrez, Rafael Ugalde, Jesus M. Mujica, Vladimir Cuniberti, Gianaurelio \r\nMujica, Vladimiro\/GNM-9273-2022; CUNIBERTI, Gianaurelio\/B-7192-2008; Ugalde, Jesus\/M-2771-2014; Sandonas, Leonardo Medrano\/Y-1413-2019; Gutierrez, Rafael\/G-3573-2010 \r\nMujica, Vladimiro\/0000-0002-5237-4851; CUNIBERTI, Gianaurelio\/0000-0002-6574-7848; Ugalde, Jesus\/0000-0001-8980-9751; Sandonas, Leonardo Medrano\/0000-0002-7673-3142; Gutierrez, Rafael\/0000-0003-2090-1140; Gutierrez, Rafael\/0000-0001-8121-8041)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

260.<\/td>

Matxain, J. M.; Ugalde, J. M.; Mujica, V.; Allec, S. I.; Wong, B. M.; Casanova, D.<\/p>

Chirality Induced Spin Selectivity of Photoexcited Electrons in Carbon-Sulfur n Helicenes<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemphotochem, <\/span>vol. 3, <\/span>no. 9, <\/span>pp. 770-777, <\/span>2019<\/span>, ISSN: 2367-0932<\/span>, (Matxain, Jon M. Ugalde, Jesus M. Mujica, Vladimiro Allec, Sarah, I Wong, Bryan M. Casanova, David \r\nCasanova, David\/F-9752-2011; Ugalde, Jesus\/M-2771-2014; Wong, Bryan\/B-1663-2009; Mujica, Vladimiro\/GNM-9273-2022 \r\nCasanova, David\/0000-0002-8893-7089; Ugalde, Jesus\/0000-0001-8980-9751; Wong, Bryan\/0000-0002-3477-8043; Mujica, Vladimiro\/0000-0002-5237-4851 \r\nSi)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

259.<\/td>

Rodriguez-Mayorga, M.; Ramos-Cordoba, E.; Lopez, X.; Sola, M.; Ugalde, J. M.; Matito, E.<\/p>

The Coulomb Hole of the Ne Atom<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemistryopen, <\/span>vol. 8, <\/span>no. 4, <\/span>pp. 411-417, <\/span>2019<\/span>, ISSN: 2191-1363<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2018<\/h3>\r\n <\/td>\r\n <\/tr>

258.<\/td>

Grande-Aztatzi, R.; Mercero, J. M.; Ugalde, J. M.<\/p>

The stability of biradicaloid versus closed-shell E(mu-XR) (2) (E = P, As; X = N, P, As) rings. Does aromaticity play a role? (vol 18, pg 11879, 2016)<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Physical Chemistry Chemical Physics, <\/span>vol. 20, <\/span>no. 17, <\/span>pp. 12323-12323, <\/span>2018<\/span>, ISSN: 1463-9076<\/span>, (Grande-Aztatzi, Rafael Mercero, Jose M. Ugalde, Jesus M. \r\nUgalde, Jesus\/M-2771-2014 \r\nUgalde, Jesus\/0000-0001-8980-9751 \r\n1463-9084)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

257.<\/td>

Leon, I.; Ruiperez, F.; Ugalde, J. M.; Wang, L. S.<\/p>

Probing the structures and bonding of auropolyynes, Au (C C)(n) Au- (n=1-3), using high-resolution photoelectron imaging<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Chemical Physics, <\/span>vol. 149, <\/span>no. 14, <\/span>2018<\/span>, ISSN: 0021-9606<\/span>, (Leon, Iker Ruiperez, Fernando Ugalde, Jesus M. Wang, Lai-Sheng \r\nRuiperez, Fernando\/H-9744-2013; Ugalde, Jesus\/M-2771-2014; leon, i\/GZL-2093-2022 \r\nRuiperez, Fernando\/0000-0002-5585-245X; Ugalde, Jesus\/0000-0001-8980-9751; \r\n1089-7690)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

256.<\/td>

Santos, J. I.; Rivilla, I.; Cossio, F. P.; Matxain, J. M.; Grzelczak, M.; Mazinani, S. K. S.; Ugalde, J. M.; Mujica, V.<\/p>

Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Acs Nano, <\/span>vol. 12, <\/span>no. 11, <\/span>pp. 11426-11433, <\/span>2018<\/span>, ISSN: 1936-0851<\/span>, (Santos, Jose I. Rivilla, Ivan Cossio, Fernando P. Matxain, Jon M. Grzelczak, Marek Mazinani, Shobeir K. S. Ugalde, Jesus M. Mujica, Vladimiro \r\nMujica, Vladimiro\/GNM-9273-2022; Ugalde, Jesus\/M-2771-2014; Santos, Jos\u00e9 I.\/AAH-1969-2019; Matxain, Jon M.\/J-8184-2014; Rivilla, Iv\u00e1n\/H-5643-2016 \r\nMujica, Vladimiro\/0000-0002-5237-4851; Ugalde, Jesus\/0000-0001-8980-9751; Santos, Jos\u00e9 I.\/0000-0002-5199-2332; Matxain, Jon M.\/0000-0002-6342-0649; Rivilla, Iv\u00e1n\/0000-0003-1984-7183; Cossio, Fernando P.\/0000-0002-4526-2122; Grzelczak, Marek\/0000-0002-3458-8450 \r\n1936-086x)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

255.<\/td>

Rodriguez-Mayorga, M.; Via-Nadal, M.; Sola, M.; Ugalde, J. M.; Lopez, X.; Matito, E.<\/p>

Electron-Pair Distribution in Chemical Bond Formation<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry A, <\/span>vol. 122, <\/span>no. 7, <\/span>pp. 1916-+, <\/span>2018<\/span>, ISSN: 1089-5639<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2017<\/h3>\r\n <\/td>\r\n <\/tr>

254.<\/td>

Mujika, J. I.; Pedregal, J. R. G.; Lopez, X.; Ugalde, J. M.; Rodriguez-Santiago, L.; Sodupe, M.; Marechal, J. D.<\/p>

Elucidating the 3D structures of Al(III)-A beta complexes: a template free strategy based on the pre-organization hypothesis<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemical Science, <\/span>vol. 8, <\/span>no. 7, <\/span>pp. 5041-5049, <\/span>2017<\/span>, ISSN: 2041-6520<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

@article{RN23,
\r\ntitle = {Elucidating the 3D structures of Al(III)-A beta complexes: a template free strategy based on the pre-organization hypothesis},
\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},
\r\nurl = {<Go to ISI>:\/\/WOS:000404617300040},
\r\ndoi = {10.1039\/c7sc01296a},
\r\nissn = {2041-6520},
\r\nyear  = {2017},
\r\ndate = {2017-01-01},
\r\njournal = {Chemical Science},
\r\nvolume = {8},
\r\nnumber = {7},
\r\npages = {5041-5049},
\r\nnote = {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},
\r\nkeywords = {},
\r\npubstate = {published},
\r\ntppubtype = {article}
\r\n}
\r\n<\/pre><\/div>
Close<\/a><\/p><\/div>
253.<\/td>

Zhao, L. L.; Grande-Aztatzi, R.; Foroutan-Nejad, C.; Ugalde, J. M.; Frenking, G.<\/p>

Aromaticity, the Huckel 4n+2 Rule and Magnetic Current<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemistryselect, <\/span>vol. 2, <\/span>no. 3, <\/span>pp. 863-870, <\/span>2017<\/span>, ISSN: 2365-6549<\/span>, (Zhao, Lili Grande-Aztatzi, Rafael Foroutan-Nejad, Cina Ugalde, Jesus M. Frenking, Gernot \r\nForoutan-Nejad, Cina\/I-7512-2013; Grande-Aztatzi, Rafael\/G-4660-2015; Ugalde, Jesus\/M-2771-2014 \r\nForoutan-Nejad, Cina\/0000-0003-0755-8173; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Ugalde, Jesus\/0000-0001-8980-9751)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

252.<\/td>

Aragones, A. C.; Medina, E.; Ferrer-Huerta, M.; Gimeno, N.; Teixido, M.; Palma, J. L.; Tao, N. J.; Ugalde, J. M.; Giralt, E.; Diez-Perez, I.; Mujica, V.<\/p>

Measuring the Spin-Polarization Power of a Single Chiral Molecule<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Small, <\/span>vol. 13, <\/span>no. 2, <\/span>2017<\/span>, ISSN: 1613-6810<\/span>, (Aragones, Albert C. Medina, Ernesto Ferrer-Huerta, Miriam Gimeno, Nuria Teixido, Meritxell Palma, Julio L. Tao, Nongjian Ugalde, Jesus M. Giralt, Ernest Diez-Perez, Ismael Mujica, Vladimiro \r\nUgalde, Jesus\/M-2771-2014; teixido, meritxell\/I-3282-2015; Tao, NJ\/B-1628-2008; Medina, Ernesto\/G-4398-2011; Mujica, Vladimiro\/GNM-9273-2022; Aragon\u00e8s, Albert C.\/P-8182-2018; Diez-Perez, Ismael\/F-6402-2014 \r\nUgalde, Jesus\/0000-0001-8980-9751; teixido, meritxell\/0000-0002-7825-3695; Medina, Ernesto\/0000-0002-1566-0170; Mujica, Vladimiro\/0000-0002-5237-4851; Aragon\u00e8s, Albert C.\/0000-0002-1829-6941; Ferrer Huerta, Miriam\/0000-0002-7076-1177; Diez-Perez, Ismael\/0000-0003-0513-8888 \r\n1613-6829)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

251.<\/td>

Seco, J. M.; Rodriguez-Dieguez, A.; Padro, D.; Garcia, J. A.; Ugalde, J. M.; Sebastian, E. S.; Cepeda, J.<\/p>

Experimental and Theoretical Study of a Cadmium Coordination Polymer Based on Aminonicotinate with Second-Timescale Blue\/Green Photoluminescent Emission<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Inorganic Chemistry, <\/span>vol. 56, <\/span>no. 6, <\/span>pp. 3149-3152, <\/span>2017<\/span>, ISSN: 0020-1669<\/span>, (Seco, Jose M. Rodriguez-Dieguez, Antonio Padro, Daniel Garcia, Jose A. Ugalde, Jesus M. Sebastian, Eider San Cepeda, Javier \r\nPadro, Daniel\/L-4091-2015; San Sebastian, Eider\/S-2637-2018; Seco, Jose Manuel\/S-2722-2018; Ruiz, Javier Cepeda\/O-9648-2016; Padro, Daniel\/AAG-3529-2021; Ugalde, Jesus\/M-2771-2014; biomaGUNE, CIC\/J-9136-2014 \r\nPadro, Daniel\/0000-0002-3932-9351; San Sebastian, Eider\/0000-0001-9263-9626; Seco, Jose Manuel\/0000-0002-5131-6764; Ruiz, Javier Cepeda\/0000-0002-0147-1360; Padro, Daniel\/0000-0002-3932-9351; Ugalde, Jesus\/0000-0001-8980-9751; biomaGUNE, CIC\/0000-0001-7690-0660 \r\n1520-510x)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

250.<\/td>

Rezabal, E.; Ugalde, J. M.; Frenking, G.<\/p>

The trans Effect in Palladium Phosphine Sulfonate Complexes<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry A, <\/span>vol. 121, <\/span>no. 40, <\/span>pp. 7709-7716, <\/span>2017<\/span>, ISSN: 1089-5639<\/span>, (Rezabal, E. Ugalde, J. M. Frenking, G. \r\nASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Ugalde, Jesus\/M-2771-2014 \r\nASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; Ugalde, Jesus\/0000-0001-8980-9751)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2016<\/h3>\r\n <\/td>\r\n <\/tr>

249.<\/td>

Mercero, J. M.; Rodriguez-Mayorga, M.; Matito, E.; Lopez, X.; Ugalde, J. M.<\/p>

The electron-pair density distribution of the \r\n 1,3\u03a0u excited states of H2<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>CANADIAN JOURNAL OF CHEMISTRY, <\/span>vol. 94, <\/span>no. 12, SI, <\/span>pp. 998-1001, <\/span>2016<\/span>, ISSN: 0008-4042<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

248.<\/td>

Matito, E.; Casanova, D.; Lopez, X.; Ugalde, J. M.<\/p>

Exact exchange-correlation functional for the infinitely stretched \r\n hydrogen molecule<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>THEORETICAL CHEMISTRY ACCOUNTS, <\/span>vol. 135, <\/span>no. 9, <\/span>2016<\/span>, ISSN: 1432-881X<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

247.<\/td>

Grande-Aztatzi, R.; Mercero, J. M.; Ugalde, J. M.<\/p>

The stability of biradicaloid versus closed-shell E(mu-XR) (2) (E = P, As; X = N, P, As) rings. Does aromaticity play a role?<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Physical Chemistry Chemical Physics, <\/span>vol. 18, <\/span>no. 17, <\/span>pp. 11879-11884, <\/span>2016<\/span>, ISSN: 1463-9076<\/span>, (Grande-Aztatzi, Rafael Mercero, Jose M. Ugalde, Jesus M. \r\nMercero, Jose\/E-6828-2010; Ugalde, Jesus\/M-2771-2014; Grande-Aztatzi, Rafael\/G-4660-2015 \r\nMercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Grande-Aztatzi, Rafael\/0000-0002-1919-4883 \r\n1463-9084)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

246.<\/td>

Grande-Aztatzi, R.; Formoso, E.; Mujika, J. I.; Ugalde, J. M.; Lopez, X.<\/p>

Phosphorylation promotes Al(III) binding to proteins: GEGEGSGG as a case study<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Physical Chemistry Chemical Physics, <\/span>vol. 18, <\/span>no. 10, <\/span>pp. 7197-7207, <\/span>2016<\/span>, ISSN: 1463-9076<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

245.<\/td>

Grande-Aztatzi, R.; Formoso, E.; Mercero, J. M.; Matxain, J. M.; Grabowski, S. J.; Ugalde, J. M.<\/p>

Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclusters<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Chemical Physics, <\/span>vol. 144, <\/span>no. 11, <\/span>2016<\/span>, ISSN: 0021-9606<\/span>, (Grande-Aztatzi, Rafael Formoso, Elena Mercero, Jose M. Matxain, Jon M. Grabowski, Slawomir J. Ugalde, Jesus M. \r\nMercero, Jose\/E-6828-2010; Grabowski, Slawomir J\/N-3119-2014; Formoso, Elena\/E-6834-2010; Grande-Aztatzi, Rafael\/G-4660-2015; Ugalde, Jesus\/M-2771-2014; Matxain, Jon M.\/J-8184-2014 \r\nMercero, Jose\/0000-0003-4857-6685; Formoso, Elena\/0000-0002-7106-3717; Grande-Aztatzi, Rafael\/0000-0002-1919-4883; Ugalde, Jesus\/0000-0001-8980-9751; Matxain, Jon M.\/0000-0002-6342-0649 \r\n1089-7690)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

244.<\/td>

Grabowski, S. J.; Ugalde, J. M.; Andrada, D. M.; Frenking, G.<\/p>

Comparison of Hydrogen and Gold Bonding in XHX (-), XAuX (-), and Isoelectronic NgHNg (+), NgAuNg (+) (X=Halogen<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemistry-a European Journal, <\/span>vol. 22, <\/span>no. 32, <\/span>pp. 11317-11328, <\/span>2016<\/span>, ISSN: 0947-6539<\/span>, (Grabowski, Slawomir J. Ugalde, Jesus M. Andrada, Diego M. Frenking, Gernot \r\nAndrada, Diego M\/A-1702-2015; Grabowski, Slawomir J\/N-3119-2014; Ugalde, Jesus\/M-2771-2014; Andrada, Diego\/AFP-0969-2022 \r\nAndrada, Diego M\/0000-0003-2515-7859; Ugalde, Jesus\/0000-0001-8980-9751; Andrada, Diego\/0000-0003-2515-7859 \r\n1521-3765)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

243.<\/td>

Jimenez-Izal, E.; Ugalde, J. M.; Matxain, J. M.<\/p>

Nanocluster-Assembled materials<\/a> (Book<\/span>)<\/p>

2016<\/span>, ISBN: 978-1-4665-7644-5; 978-1-4665-7641-4<\/span>, (Jimenez-Izal, Elisa Ugalde, Jesus M. Matxain, Jon M. \r\nJimenez-Izal, ELISA\/AAI-9021-2020; Matxain, Jon M.\/J-8184-2014; Jimenez-Izal, Elisa\/AAB-1990-2019; Ugalde, Jesus\/M-2771-2014 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Ugalde, Jesus\/0000-0001-8980-9751; Jimenez-Izal, Elisa\/0000-0003-1127-2100)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

242.<\/td>

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>

Cholesterol-Ceramide Interactions in Phospholipid and Sphingolipid Bilayers As Observed by Positron Annihilation Lifetime Spectroscopy and Molecular Dynamics Simulations<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Langmuir, <\/span>vol. 32, <\/span>no. 21, <\/span>pp. 5434-5444, <\/span>2016<\/span>, ISSN: 0743-7463<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

@article{RN33,
\r\ntitle = {Cholesterol-Ceramide Interactions in Phospholipid and Sphingolipid Bilayers As Observed by Positron Annihilation Lifetime Spectroscopy and Molecular Dynamics Simulations},
\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},
\r\nurl = {<Go to ISI>:\/\/WOS:000377151300025},
\r\ndoi = {10.1021\/acs.langmuir.6b00927},
\r\nissn = {0743-7463},
\r\nyear  = {2016},
\r\ndate = {2016-01-01},
\r\njournal = {Langmuir},
\r\nvolume = {32},
\r\nnumber = {21},
\r\npages = {5434-5444},
\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. 
\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},
\r\nkeywords = {},
\r\npubstate = {published},
\r\ntppubtype = {article}
\r\n}
\r\n<\/pre><\/div>
Close<\/a><\/p><\/div>
241.<\/td>

Ugalde, J. M.; Bultinck, P.; Bickelhaupt, F. M.; Alexandrova, A. N.<\/p>

4th International Conference on Chemical Bonding<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry A, <\/span>vol. 120, <\/span>no. 47, <\/span>pp. 9353-9356, <\/span>2016<\/span>, ISSN: 1089-5639<\/span>, (Ugalde, Jesus M. Bultinck, Patrick Bickelhaupt, F. Matthias Alexandrova, Anastassia N. \r\nUgalde, Jesus\/M-2771-2014; Bultinck, Patrick\/E-4716-2011; Bickelhaupt, F. Matthias\/A-3857-2009 \r\nUgalde, Jesus\/0000-0001-8980-9751; Bultinck, Patrick\/0000-0003-2766-2672; Bickelhaupt, F. Matthias\/0000-0003-4655-7747 \r\n1520-5215)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

240.<\/td>

Leon, I.; Ruiperez, F.; Ugalde, J. M.; Wang, L. S.<\/p>

Probing the electronic structure and Au-C chemical bonding in AuCn- and AuCnH- (n=2, 4, and 6) using high-resolution photoelectron spectroscopy<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Chemical Physics, <\/span>vol. 145, <\/span>no. 6, <\/span>2016<\/span>, ISSN: 0021-9606<\/span>, (Leon, Iker Ruiperez, Fernando Ugalde, Jesus M. Wang, Lai-Sheng \r\nLe\u00f3n, Iker\/C-2031-2014; Ugalde, Jesus\/M-2771-2014; leon, i\/GZL-2093-2022; Ruiperez, Fernando\/H-9744-2013 \r\nLe\u00f3n, Iker\/0000-0002-1992-935X; Ugalde, Jesus\/0000-0001-8980-9751; Ruiperez, Fernando\/0000-0002-5585-245X \r\n1089-7690)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

239.<\/td>

Cepeda, J.; Sebastian, E. S.; Padro, D.; Rodriguez-Dieguez, A.; Garcia, J. A.; Ugalde, J. M.; Seco, J. M.<\/p>

A Zn based coordination polymer exhibiting long-lasting phosphorescence<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemical Communications, <\/span>vol. 52, <\/span>no. 56, <\/span>pp. 8671-8674, <\/span>2016<\/span>, ISSN: 1359-7345<\/span>, (Cepeda, Javier San Sebastian, Eider Padro, Daniel Rodriguez-Dieguez, Antonio Garcia, Jose A. Ugalde, Jesus M. Seco, Jose M. \r\nUgalde, Jesus\/M-2771-2014; Ruiz, Javier Cepeda\/O-9648-2016; Padro, Daniel\/AAG-3529-2021; Seco, Jose Manuel\/S-2722-2018; Padro, Daniel\/L-4091-2015; San Sebastian, Eider\/S-2637-2018; biomaGUNE, CIC\/J-9136-2014 \r\nUgalde, Jesus\/0000-0001-8980-9751; Ruiz, Javier Cepeda\/0000-0002-0147-1360; Padro, Daniel\/0000-0002-3932-9351; Seco, Jose Manuel\/0000-0002-5131-6764; Padro, Daniel\/0000-0002-3932-9351; San Sebastian, Eider\/0000-0001-9263-9626; Rodriguez Dieguez, Antonio\/0000-0003-3198-5378; biomaGUNE, CIC\/0000-0001-7690-0660 \r\n1364-548x)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

238.<\/td>

Piris, M.; Lopez, X.; Ugalde, J. M.<\/p>

The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional Perspective<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemistry-a European Journal, <\/span>vol. 22, <\/span>no. 12, <\/span>pp. 4109-4115, <\/span>2016<\/span>, ISSN: 0947-6539<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2015<\/h3>\r\n <\/td>\r\n <\/tr>

237.<\/td>

Lopez, X.; Piris, M.; Ruiperez, F.; Ugalde, J. M.<\/p>

Performance of PNOF6 for Hydrogen Abstraction Reactions<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry A, <\/span>vol. 119, <\/span>no. 27, <\/span>pp. 6981-6988, <\/span>2015<\/span>, ISSN: 1089-5639<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

236.<\/td>

Azpiroz, J. M.; Ugalde, J. M.; Etgar, L.; Infante, I.; Angelis, F. De<\/p>

The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: a first-principles study<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Physical Chemistry Chemical Physics, <\/span>vol. 17, <\/span>no. 8, <\/span>pp. 6076-6086, <\/span>2015<\/span>, ISSN: 1463-9076<\/span>, (Azpiroz, Jon M. Ugalde, Jesus M. Etgar, Lioz Infante, Ivan De Angelis, Filippo \r\nUgalde, Jesus\/M-2771-2014; Infante, Ivan\/A-1912-2011; De Angelis, Filippo\/N-4341-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; Infante, Ivan\/0000-0003-3467-9376; De Angelis, Filippo\/0000-0003-3833-1975 \r\n1463-9084)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

235.<\/td>

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>

Ceramide increases free volume voids in DPPC membranes<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Rsc Advances, <\/span>vol. 5, <\/span>no. 55, <\/span>pp. 44282-44290, <\/span>2015<\/span>, ISSN: 2046-2069<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

234.<\/td>

Mercero, J. M.; Boldyrev, A. I.; Merino, G.; Ugalde, J. M.<\/p>

Recent developments and future prospects of all-metal aromatic compounds<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Chemical Society Reviews, <\/span>vol. 44, <\/span>no. 18, <\/span>pp. 6519-6534, <\/span>2015<\/span>, ISSN: 0306-0012<\/span>, (Mercero, Jose M. Boldyrev, Alexander I. Merino, Gabriel Ugalde, Jesus M. \r\nMercero, Jose\/E-6828-2010; Merino, Gabriel\/A-1046-2009; Ugalde, Jesus\/M-2771-2014; Boldyrev, Alexander I.\/C-5940-2009 \r\nMercero, Jose\/0000-0003-4857-6685; Ugalde, Jesus\/0000-0001-8980-9751; Boldyrev, Alexander I.\/0000-0002-8277-3669 \r\n1460-4744)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

233.<\/td>

Rezabal, E.; Asua, J. M.; Ugalde, J. M.<\/p>

Homopolymerization of Ethylene by Palladium Phosphine Sulfonate Catalysts: The Role of Structural and Environmental Factors<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Organometallics, <\/span>vol. 34, <\/span>no. 1, <\/span>pp. 373-380, <\/span>2015<\/span>, ISSN: 0276-7333<\/span>, (Rezabal, Elixabete Asua, Jose M. Ugalde, Jesus M. \r\nUgalde, Jesus\/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL\/X-6011-2019; Asua, Jose M\/B-2288-2015 \r\nUgalde, Jesus\/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL\/0000-0003-0397-6140; \r\n1520-6041)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

\r\n

2014<\/h3>\r\n <\/td>\r\n <\/tr>

232.<\/td>

Jimenez-Izal, E.; Moreno, D.; Mercero, J. M.; Matxain, J. M.; Audiffred, M.; Merino, G.; Ugalde, J. M.<\/p>

Doped Aluminum Cluster Anions: Size Matters<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry A, <\/span>vol. 118, <\/span>no. 24, <\/span>pp. 4309-4314, <\/span>2014<\/span>, ISSN: 1089-5639<\/span>, (Jimenez-Izal, Elisa Moreno, Diego Mercero, Jose M. Matxain, Jon M. Audiffred, Martha Merino, Gabriel Ugalde, Jesus M. \r\nMerino, Gabriel\/A-1046-2009; Matxain, Jon M.\/J-8184-2014; Jimenez-Izal, ELISA\/AAI-9021-2020; Jimenez-Izal, Elisa\/AAB-1990-2019; Moreno, Diego V\/J-8435-2016; Ugalde, Jesus\/M-2771-2014; Mercero, Jose\/E-6828-2010 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Ugalde, Jesus\/0000-0001-8980-9751; Mercero, Jose\/0000-0003-4857-6685; Jimenez-Izal, Elisa\/0000-0003-1127-2100 \r\n1520-5215)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

231.<\/td>

Jimenez-Izal, E.; Azpiroz, J. M.; Gupta, R.; Matxain, J. M.; Ugalde, J. M.<\/p>

CdS nanoclusters doped with divalent atoms<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Molecular Modeling, <\/span>vol. 20, <\/span>no. 6, <\/span>2014<\/span>, ISSN: 1610-2940<\/span>, (Jimenez-Izal, Elisa Azpiroz, Jon M. Gupta, Riti Matxain, Jon M. Ugalde, Jesus M. \r\nMatxain, Jon M.\/J-8184-2014; Jimenez-Izal, ELISA\/AAI-9021-2020; Ugalde, Jesus\/M-2771-2014; Jimenez-Izal, Elisa\/AAB-1990-2019 \r\nMatxain, Jon M.\/0000-0002-6342-0649; Ugalde, Jesus\/0000-0001-8980-9751; Jimenez-Izal, Elisa\/0000-0003-1127-2100 \r\n0948-5023)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

230.<\/td>

Luque, N. B.; Mujika, J. I.; Rezabal, E.; Ugalde, J. M.; Lopez, X.<\/p>

Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1:1 complexes<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Physical Chemistry Chemical Physics, <\/span>vol. 16, <\/span>no. 37, <\/span>pp. 20107-20119, <\/span>2014<\/span>, ISSN: 1463-9076<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

229.<\/td>

Azpiroz, J. M.; Islas, R.; Moreno, D.; Fernandez-Herrera, M. A.; Pan, S.; Chattaraj, P. K.; Martinez-Guajardo, G.; Ugalde, J. M.; Merino, G.<\/p>

Carbo-Cages: A Computational Study<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Organic Chemistry, <\/span>vol. 79, <\/span>no. 12, <\/span>pp. 5463-5470, <\/span>2014<\/span>, ISSN: 0022-3263<\/span>, (Azpiroz, Jon M. Islas, Rafael Moreno, Diego Fernandez-Herrera, Maria A. Pan, Sudip Chattaraj, Pratim K. Martinez-Guajardo, Gerardo Ugalde, Jesus M. Merino, Gabriel \r\nMerino, Gabriel\/A-1046-2009; Islas, Rafael\/T-9977-2019; Pan, Sudip\/I-8264-2014; Islas, Rafael\/B-1656-2012; Ugalde, Jesus\/M-2771-2014; Fernandez-Herrera, Maria\/D-6452-2014; Fernandez-Herrera, Maria A.\/AAW-3298-2021; Chattaraj, Pratim K\/Q-7652-2016; Moreno, Diego V\/J-8435-2016 \r\nIslas, Rafael\/0000-0001-5655-107X; Pan, Sudip\/0000-0002-0414-8366; Islas, Rafael\/0000-0001-5655-107X; Ugalde, Jesus\/0000-0001-8980-9751; Fernandez-Herrera, Maria\/0000-0003-2527-9848; Fernandez-Herrera, Maria A.\/0000-0003-2527-9848; Chattaraj, Pratim K\/0000-0002-5650-7666; \r\n1520-6904)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

228.<\/td>

Azpiroz, J. M.; Mosconi, E.; Ugalde, J. M.; Angelis, F. De<\/p>

Effect of Structural Dynamics on the Opto-Electronic Properties of Bare and Hydrated ZnS QDs<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Journal of Physical Chemistry C, <\/span>vol. 118, <\/span>no. 6, <\/span>pp. 3274-3284, <\/span>2014<\/span>, ISSN: 1932-7447<\/span>, (Azpiroz, Jon M. Mosconi, Edoardo Ugalde, Jesus M. De Angelis, Filippo \r\nDe Angelis, Filippo\/N-4341-2015; Mosconi, Edoardo\/F-5469-2016; Ugalde, Jesus\/M-2771-2014 \r\nDe Angelis, Filippo\/0000-0003-3833-1975; Mosconi, Edoardo\/0000-0001-5075-6664; Ugalde, Jesus\/0000-0001-8980-9751)<\/span>.<\/p>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

227.<\/td>

Mujika, J. I.; Rezabal, E.; Mercero, J. M.; Ruiperez, F.; Costa, D.; Ugalde, J. M.; Lopez, X.<\/p>

Aluminium in Biological Environments: A Computational Approach<\/a> (Journal Article<\/span>)<\/p>

In: <\/span>Computational and Structural Biotechnology Journal, <\/span>vol. 9, <\/span>no. 15, <\/span>2014<\/span>, ISSN: 2001-0370<\/span>, (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>

(Links<\/a><\/span> | BibTeX<\/a><\/span>)<\/p>

@article{RN52,
\r\ntitle = {Aluminium in Biological Environments: A Computational Approach},
\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},
\r\nurl = {<Go to ISI>:\/\/WOS:000219037100002},
\r\ndoi = {10.5936\/csbj.201403002},
\r\nissn = {2001-0370},
\r\nyear  = {2014},
\r\ndate = {2014-01-01},
\r\njournal = {Computational and Structural Biotechnology Journal},
\r\nvolume = {9},
\r\nnumber = {15},
\r\nnote = {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},
\r\nkeywords = {},
\r\npubstate = {published},
\r\ntppubtype = {article}
\r\n}
\r\n<\/pre><\/div>
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