{"id":6367,"date":"2013-02-05T14:28:53","date_gmt":"2013-02-05T12:28:53","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/?p=6367"},"modified":"2026-03-05T16:18:56","modified_gmt":"2026-03-05T15:18:56","slug":"thesis","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/3_publications\/thesis\/","title":{"rendered":"PhD Thesis"},"content":{"rendered":"\n

34.<\/strong> S\u00edlvia Escayola Gordils<\/span> \u201cExploring the Boundaries of Aromaticity through Computational Analysis of Excited States and Complex Molecular Topologies\u201d<\/em> (2024)
\n  Supervisors:<\/strong> Miquel Sol\u00e0, Eduard Matito, Albert Poater<\/p>\n\n\n\n

33.<\/strong> Aaron Rodr\u00edguez<\/span> \u201cDevelopment, Implementation and Applications of Hybrid Quantum Chemistry Models\u201d<\/em> (2024)
\n  Supervisors:<\/strong> David Casanova, Eduard Matito<\/p>\n\n\n\n

32.<\/strong> Andoni Ugartemendia Biurrun<\/span> “Theoretical Design of CO Poisoning Resistant Pt Catalysts through Ge Alloying<\/a><\/em>” (2024)
\n  Supervisors:<\/strong> Elisa Jimenez Izal, Jose M. Mercero Larraza<\/p>\n\n\n\n

31.<\/strong> Xiang Xu<\/span> \u201cTwo Aspects of Electron Correlation: Multireference Diagnostics and London Dispersion Interactions\u201d<\/em> (2023)
\n  Supervisors:<\/strong> Eduard Matito, Eloy Ramos-Cordoba<\/p>\n\n\n\n

30.<\/strong> Carmelo Naim<\/span> \u201cDetermination of Nonlinear Optical Properties from Quantum Chemistry: From Benchmarks to Experimental Systems\u201d<\/em> (2022)
\n  Supervisors:<\/strong> Eduard Matito, Fr\u00e9d\u00e9ric Castet<\/p>\n\n\n\n

29.<\/strong> Sebastian Sitkiewicz<\/span> \u201cInsights into the Efficient Quantum Chemical Simulations of Nonlinear Optical Properties\u201d<\/em> (2022)
\n  Supervisors:<\/strong> Eduard Matito, Josep M. Luis<\/p>\n\n\n\n

28.<\/strong> Maria Zubiria Ulacia<\/span> “Theoretical Study of Excited Triplet States of Aromatic Molecules for Optoelectronic Applications<\/a><\/em>” (2022)
\n  Supervisors:<\/strong> David Casanova Casas, Jon Mattin Matxain Beraza<\/p>\n\n\n\n

27.<\/strong> Karina G. Madrigal-Carrillo<\/span> “Zirconia supported WO3 catalysts for n-hexane isomerization: theoretical study<\/em>” (2022)
\n  Supervisors:<\/strong> Elisa Jimenez-Izal, Juan I. Rodriguez<\/p>\n\n\n\n

26.<\/strong> Mikel Irigoien Urtasun<\/span> “ Theoretical Modeling of Self-Healing Materials<\/a><\/em>” (2021)
\n  Supervisors:<\/strong> Fernando Ruip\u00e9rez, Jon M. Matxain<\/p>\n\n\n\n

25<\/strong>. Irene Casademont<\/span> “ Estudio Computacional de Mol\u00e9culas Fotosensibilizadoras a partir de Descriptores del Enlace Qu\u00edmico y la Teor\u00eda del Funcional de la Densidad<\/a><\/em>” (2021)
\n  Supervisors:<\/strong> Eduard Matito, Eloy Ramos-C\u00f3rdoba.<\/p>\n\n\n\n

24.<\/strong> Mar\u00eda Eugenia Sandoval Salinas<\/span> “ Photophysical processes in complex systems<\/a><\/em>” (2021)
\n  Supervisor:<\/strong> David Casanova<\/p>\n\n\n\n

23.<\/strong> Raul Quintero-Monsebaiz<\/span> “ Natural orbital functional theory for spin-polarized systems<\/a><\/em>” (2021)
\n  Supervisors:<\/strong> Alberto Vela, Mario Piris<\/p>\n\n\n\n

22<\/strong>. Mireia Via Nadal<\/span> “ Electron correlation in density matrices and Coulomb holes<\/a><\/em>” (2020)
\n  Supervisor:<\/strong> Eduard Matito.<\/p>\n\n\n\n

21<\/strong>. Ion Mitxelena Etxeberria<\/span> “ Development and applications of Natural Orbital Functional Theory<\/a><\/em>” (2020)
\n  Supervisor:<\/strong> Mario Piris.<\/p>\n\n\n\n

20<\/strong>. Gabriele dala Torre<\/span> “ Computational Studies of New Aluminum Chelating Agents<\/em>” (2019)
\n  Supervisor:<\/strong> Xabier Lopez Pesta\u00f1a.<\/p>\n\n\n\n

19<\/strong>. Mauricio Rodriguez-Mayorga<\/span> “Reduced Density Matrices: Development and Chemical Applications<\/a><\/em>” (2018)
\n  Supervisors:<\/strong> Eduard Matito, Miquel Sola<\/p>\n\n\n\n

18<\/strong>. Jon Uranga Barandiaran<\/span> “Protein Oxidation by the Attack of OH Radicals \/ OH Erradikalen Erasoen bidezko Proteinen Oxidazioa<\/em><\/a>” (2017)
\n  Supervisors:<\/strong> Jon M. Matxain Beraza, Jesus M. Ugalde Uribe-Etxebarria<\/p>\n\n\n\n

17<\/strong>. Elisa Jimenez Izal<\/span> “Structure and Electronic Properties of Endohedrally Doped II-VI Hollow Nanoclusters<\/a><\/em>” (2014).
\n  Supervisors<\/strong>: Jon M. Matxain Beraza, Jesus M. Ugalde Uribe-Etxebarria<\/p>\n\n\n\n

16<\/strong>. Jon Mikel Azpiroz Apezetxea<\/span> “Computational Modeling of Semiconductor Nanoclusters<\/a><\/em>” (2014)
\n  Supervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria<\/p>\n\n\n\n

15<\/strong>. Oier Lakuntza Irigoien<\/span> “Metanoaren aktibazioa hamargarren taldeko hidrido hidroxido\/sulfhidrido katioien bitartez katalizatua<\/em><\/a>” (2012)
\n  Supervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria.<\/p>\n\n\n\n

14<\/strong>. Elena Formoso Estensoro<\/span> “Theoretical characterization of pentacovalent oxyphosporane intermediate structures of the hydrolysis of RNA catalyzed by RNase A<\/em><\/a>” (2010)
\n  Supervisor<\/strong>: Jose J. Lopez Pesta\u00f1a.<\/p>\n\n\n\n

13<\/strong>. Julen Larrucea Corchero<\/span> “Aluminio katioiaren aminoazido aromatikoen gaineko eraginaren azterketa konputazionala \/ Computational study of the effect of aluminum cation on aromatic aminoacids<\/em><\/a>” (2009)
\n  Supervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria<\/p>\n\n\n\n

12<\/strong>. Elixabete Rezabal Astigarraga<\/span> “<\/strong>Binding and specificity of aluminum in proteins<\/em><\/a>” (2007).
\n  Supervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria<\/p>\n\n\n\n

11<\/strong>. Eider San Sebastian<\/span> “Study of protein-protein interactions involved in cancer metastases and autoimmune diseases. Design of new antimetastatic molecules<\/em><\/a>” (2007)
\n  Supervisors<\/strong>: Jose J. Lopez Pesta\u00f1a y Fernando P. Coss\u00edo.<\/p>\n\n\n\n

10<\/strong>. Jon I. Mujika Gorostidi<\/span> “Twisted amides: characterization of their electronic structure and analysis of their accelerated hydrolysis<\/a>” <\/em>(2006) <\/em>  Supervisor<\/strong>: Jos\u00e9 J. L\u00f3pez Pesta\u00f1a<\/p>\n\n\n\n

9<\/strong>. I\u00f1aki Silanes Crist\u00f3bal<\/span> “Ethylene polymerization by Group IV transition metal metallocenes<\/em><\/a>” (2006)
\n  Supervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria.<\/p>\n\n\n\n

8<\/strong>. Jon M. Matxain Beraza<\/span> \u201d<\/a>Small clusters of II-VI materials<\/a><\/em>\u201d (2002).
\nSupervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria. Doctorado Europeo. Premio Extraordinario de Doctorado 2003.ISBN:<\/strong> 84-8373-461-3. Publisher<\/strong>: Editorial Service of the University of the Basque Country.<\/p>\n\n\n\n

7<\/strong>. Jose M. Mercero Larraza<\/span> \u201dAluminum(III) interactions with aminoacid chains<\/a><\/em>\u201d (2001) Supervisor: Jesus M. Ugalde Uribe-Etxebarria. Doctorado Europeo. Premio Extraordinario de Doctorado 2001.<\/p>\n\n\n\n

6<\/strong>. Arantxa Irigoras Balda<\/span>, \u201dWater Dehydrogenation by First-Row Tansition Metals Cations: A Paradigm for Two-State Reactivity<\/em><\/a>\u201d (1999).
\nSupervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria. Doctorado Europeo. ISBN:<\/strong> 84-8373-197-5. Publisher<\/strong>: Editorial Service of the University of the Basque Country.<\/p>\n\n\n\n

5<\/strong>. Guillermo Roa Zubia<\/span> “Estudio teorico de la estructura y reactividad de cetenas e isocianatos”<\/em> (1999).
\nSupervisors<\/strong>: Jesus M. Ugalde Uribe-Etxebarria, Fernando P. Coss\u00edo.<\/p>\n\n\n\n

4<\/strong>. Am\u00e9rica Graciela Garc\u00eda<\/span>, \u201dAplicaciones de la Teor\u00eda del Funcional de la Densidad a Enlaces (2e,3c) y Complejos de Transferencia de Carga<\/em>\u201d Premio Extraordinario de Doctorado (1997).
\nSupervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria.<\/p>\n\n\n\n

3<\/strong>. Elso Manuel Cruz<\/span>, \u201dLa Qu\u00edmica del Cati\u00f3n P+. Reacciones en Condiciones Interestelares<\/em>\u201d (1997)
\nSupervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria.<\/p>\n\n\n\n

2<\/strong>. Xabier Lopez Pesta\u00f1a<\/span>, \u201dOn The Gas-Phase Chemistry of P+: Ionic Clusters, Dioxides And Interstellar Chemistry<\/em>\u201d (1995) Supervisor<\/strong>: J. M. Ugalde Uribe-Etxebarria. Doctorado Europeo. Premio Extraordinario de Doctorado (1995).<\/strong><\/p>\n\n\n\n

1<\/strong>. Maria Lourdes Dom\u00ednguez<\/span> \u201dDensidades y Distribuciones Bielectr\u00f3nicas At\u00f3micas y Moleculares a partir de Funciones de Onda Construidas con GTO\u2019s<\/em>\u201d.
\nSupervisor<\/strong>: Jesus M. Ugalde Uribe-Etxebarria.<\/p>\n","protected":false},"excerpt":{"rendered":"

34. S\u00edlvia Escayola Gordils \u201cExploring the Boundaries of Aromaticity through Computational Analysis of Excited States and Complex Molecular Topologies\u201d (2024)   Supervisors: Miquel Sol\u00e0, Eduard Matito, Albert Poater 33. Aaron Rodr\u00edguez \u201cDevelopment, Implementation and Applications of Hybrid Quantum Chemistry Models\u201d (2024)   Supervisors: David Casanova, Eduard Matito 32. Andoni Ugartemendia Biurrun “Theoretical Design of CO Poisoning Resistant […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[68,168],"tags":[],"class_list":["post-6367","post","type-post","status-publish","format-standard","hentry","category-3_publications","category-3_thesis"],"blocksy_meta":{"has_hero_section":"default","hero_elements":[{"id":"custom_title","enabled":true,"heading_tag":"h1","title":"Home","__id":"cgaMJVoG4dwsoNg6w9k6Z"},{"id":"custom_description","enabled":false,"description_visibility":{"desktop":true,"tablet":true,"mobile":false},"__id":"LyzBUZyXYKE2kqQHMkJOD"},{"id":"custom_meta","enabled":false,"meta_elements":[{"id":"author","enabled":true,"label":"By","has_author_avatar":"yes","avatar_size":25},{"id":"post_date","enabled":true,"label":"On","date_format_source":"default","date_format":"M j, Y"},{"id":"updated_date","enabled":false,"label":"On","date_format_source":"default","date_format":"M j, Y"},{"id":"categories","enabled":true,"label":"In","style":"simple"},{"id":"comments","enabled":true}],"page_meta_elements":{"joined":true,"articles_count":true,"comments":true},"__id":"nX7p0Oc2CUeVZocOJXuiW"},{"id":"breadcrumbs","enabled":false,"__id":"hGjOiEUmYN9-fQo7WqTs8"}],"styles_descriptor":{"styles":{"desktop":"","tablet":"","mobile":""},"google_fonts":[],"version":6}},"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/6367","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=6367"}],"version-history":[{"count":95,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/6367\/revisions"}],"predecessor-version":[{"id":22216,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/6367\/revisions\/22216"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=6367"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=6367"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=6367"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}