34. Sílvia Escayola Gordils “Exploring the Boundaries of Aromaticity through Computational Analysis of Excited States and Complex Molecular Topologies” (2024)
Supervisors: Miquel Solà, Eduard Matito, Albert Poater
33. Aaron Rodríguez “Development, Implementation and Applications of Hybrid Quantum Chemistry Models” (2024)
Supervisors: David Casanova, Eduard Matito
32. Andoni Ugartemendia Biurrun “Theoretical Design of CO Poisoning Resistant Pt Catalysts through Ge Alloying” (2024)
Supervisors: Elisa Jimenez Izal, Jose M. Mercero Larraza
31. Xiang Xu “Two Aspects of Electron Correlation: Multireference Diagnostics and London Dispersion Interactions” (2023)
Supervisors: Eduard Matito, Eloy Ramos-Cordoba
30. Carmelo Naim “Determination of Nonlinear Optical Properties from Quantum Chemistry: From Benchmarks to Experimental Systems” (2022)
Supervisors: Eduard Matito, Frédéric Castet
29. Sebastian Sitkiewicz “Insights into the Efficient Quantum Chemical Simulations of Nonlinear Optical Properties” (2022)
Supervisors: Eduard Matito, Josep M. Luis
28. Maria Zubiria Ulacia “Theoretical Study of Excited Triplet States of Aromatic Molecules for Optoelectronic Applications” (2022)
Supervisors: David Casanova Casas, Jon Mattin Matxain Beraza
27. Karina G. Madrigal-Carrillo “Zirconia supported WO3 catalysts for n-hexane isomerization: theoretical study” (2022)
Supervisors: Elisa Jimenez-Izal, Juan I. Rodriguez
26. Mikel Irigoien Urtasun “ Theoretical Modeling of Self-Healing Materials” (2021)
Supervisors: Fernando Ruipérez, Jon M. Matxain
25. Irene Casademont “ Estudio Computacional de Moléculas Fotosensibilizadoras a partir de Descriptores del Enlace Químico y la Teoría del Funcional de la Densidad” (2021)
Supervisors: Eduard Matito, Eloy Ramos-Córdoba.
24. María Eugenia Sandoval Salinas “ Photophysical processes in complex systems” (2021)
Supervisor: David Casanova
23. Raul Quintero-Monsebaiz “ Natural orbital functional theory for spin-polarized systems” (2021)
Supervisors: Alberto Vela, Mario Piris
22. Mireia Via Nadal “ Electron correlation in density matrices and Coulomb holes” (2020)
Supervisor: Eduard Matito.
21. Ion Mitxelena Etxeberria “ Development and applications of Natural Orbital Functional Theory” (2020)
Supervisor: Mario Piris.
20. Gabriele dala Torre “ Computational Studies of New Aluminum Chelating Agents” (2019)
Supervisor: Xabier Lopez Pestaña.
19. Mauricio Rodriguez-Mayorga “Reduced Density Matrices: Development and Chemical Applications” (2018)
Supervisors: Eduard Matito, Miquel Sola
18. Jon Uranga Barandiaran “Protein Oxidation by the Attack of OH Radicals / OH Erradikalen Erasoen bidezko Proteinen Oxidazioa” (2017)
Supervisors: Jon M. Matxain Beraza, Jesus M. Ugalde Uribe-Etxebarria
17. Elisa Jimenez Izal “Structure and Electronic Properties of Endohedrally Doped II-VI Hollow Nanoclusters” (2014).
Supervisors: Jon M. Matxain Beraza, Jesus M. Ugalde Uribe-Etxebarria
16. Jon Mikel Azpiroz Apezetxea “Computational Modeling of Semiconductor Nanoclusters” (2014)
Supervisor: Jesus M. Ugalde Uribe-Etxebarria
15. Oier Lakuntza Irigoien “Metanoaren aktibazioa hamargarren taldeko hidrido hidroxido/sulfhidrido katioien bitartez katalizatua” (2012)
Supervisor: Jesus M. Ugalde Uribe-Etxebarria.
14. Elena Formoso Estensoro “Theoretical characterization of pentacovalent oxyphosporane intermediate structures of the hydrolysis of RNA catalyzed by RNase A” (2010)
Supervisor: Jose J. Lopez Pestaña.
13. Julen Larrucea Corchero “Aluminio katioiaren aminoazido aromatikoen gaineko eraginaren azterketa konputazionala / Computational study of the effect of aluminum cation on aromatic aminoacids” (2009)
Supervisor: Jesus M. Ugalde Uribe-Etxebarria
12. Elixabete Rezabal Astigarraga “Binding and specificity of aluminum in proteins” (2007).
Supervisor: Jesus M. Ugalde Uribe-Etxebarria
11. Eider San Sebastian “Study of protein-protein interactions involved in cancer metastases and autoimmune diseases. Design of new antimetastatic molecules” (2007)
Supervisors: Jose J. Lopez Pestaña y Fernando P. Cossío.
10. Jon I. Mujika Gorostidi “Twisted amides: characterization of their electronic structure and analysis of their accelerated hydrolysis” (2006) Supervisor: José J. López Pestaña
9. Iñaki Silanes Cristóbal “Ethylene polymerization by Group IV transition metal metallocenes” (2006)
Supervisor: Jesus M. Ugalde Uribe-Etxebarria.
8. Jon M. Matxain Beraza ”Small clusters of II-VI materials” (2002).
Supervisor: Jesus M. Ugalde Uribe-Etxebarria. Doctorado Europeo. Premio Extraordinario de Doctorado 2003.ISBN: 84-8373-461-3. Publisher: Editorial Service of the University of the Basque Country.
7. Jose M. Mercero Larraza ”Aluminum(III) interactions with aminoacid chains” (2001) Supervisor: Jesus M. Ugalde Uribe-Etxebarria. Doctorado Europeo. Premio Extraordinario de Doctorado 2001.
6. Arantxa Irigoras Balda, ”Water Dehydrogenation by First-Row Tansition Metals Cations: A Paradigm for Two-State Reactivity” (1999).
Supervisor: Jesus M. Ugalde Uribe-Etxebarria. Doctorado Europeo. ISBN: 84-8373-197-5. Publisher: Editorial Service of the University of the Basque Country.
5. Guillermo Roa Zubia “Estudio teorico de la estructura y reactividad de cetenas e isocianatos” (1999).
Supervisors: Jesus M. Ugalde Uribe-Etxebarria, Fernando P. Cossío.
4. América Graciela García, ”Aplicaciones de la Teoría del Funcional de la Densidad a Enlaces (2e,3c) y Complejos de Transferencia de Carga” Premio Extraordinario de Doctorado (1997).
Supervisor: Jesus M. Ugalde Uribe-Etxebarria.
3. Elso Manuel Cruz, ”La Química del Catión P+. Reacciones en Condiciones Interestelares” (1997)
Supervisor: Jesus M. Ugalde Uribe-Etxebarria.
2. Xabier Lopez Pestaña, ”On The Gas-Phase Chemistry of P+: Ionic Clusters, Dioxides And Interstellar Chemistry” (1995) Supervisor: J. M. Ugalde Uribe-Etxebarria. Doctorado Europeo. Premio Extraordinario de Doctorado (1995).
1. Maria Lourdes Domínguez ”Densidades y Distribuciones Bielectrónicas Atómicas y Moleculares a partir de Funciones de Onda Construidas con GTO’s”.
Supervisor: Jesus M. Ugalde Uribe-Etxebarria.
