Thèses dirigées (26) Thèses dirigées par des membres du groupe

2023

  1. Merging Metal Catalysis & DFT Studies toward the C-H Functionalization of a-Amino Carbonyl Compounds

    ANDRADE SAMPEDRO, PAULA

    Dirigée par Jon Mattin Matxain Beraza y Arkaitz Correa Navarro
  2. Large-scale and linear-scaling quantum mechanics computational methods to characterize the DNA G-quadruplexes and their interaction with small molecules

    ORTIZ DE LUZURIAGA LOPEZ, IKER

    Dirigée par Xabier López Pestaña
  3. Protein nanomechanics: from fast-folding proteins to microbial infections

    REIFS CARMONA, ANTONIO

    Dirigée par David de Sancho Sánchez y Raúl Pérez Jiménez
  4. Theoretical characterization of new dynamic bonds for responsive materials and their optical properties

    GALDEANO FRAILE, MAIALEN

    Dirigée par Fernando Ruiperez Cillán y Jon Mattin Matxain Beraza

2022

  1. Computer simulations of intrinsically disordered proteins in the hypoxic response

    RUIZ ORTIZ, IRENE

    Dirigée par David de Sancho Sánchez y Raúl Pérez Jiménez
  2. Computational study of statically confined electron systems by means of quantum chemical and machine learning techniques

    TELLERIA ALLIKA, XABIER

    Dirigée par José María Mercero Larraza, Jon Mattin Matxain Beraza y Xabier López Pestaña
  3. Theoretical study of excited triplet states of aromatic molecules for optoelectronic applications

    ZUBIRIA ULACIA, MARIA

    Dirigée par Jon Mattin Matxain Beraza

2021

  1. Theoretical study of dichalcogenides as building blocks for ecient self-healing materials

    IRIGOYEN URTASUN, MIKEL

    Dirigée par Jon Mattin Matxain Beraza y Fernando Ruiperez Cillán

2020

  1. Electron correlation in density matrices and Coulomb holes

    VIA NADAL, MIREIA

    Dirigée par Xabier López Pestaña
  2. Development and applications of natural orbital functional theory

    MITXELENA ECHEVERRIA, ION

    Dirigée par Mario Piris Silvera

2019

  1. Computational approach to aluminum biochemistry and development of new chelation strategies

    DALLA TORRE, GABRIELE

    Dirigée par Xabier López Pestaña
  2. Design of ancestral enzymes for engineering nanobiomaterials

    Barandiaran Larrea, Leyre

    Dirigée par David de Sancho Sánchez y Raúl Pérez Jiménez
  3. An innovative organocatalyst for the recycling of commodity polymers

    JEHANNO, CORALIE ANNE MARIE

    Dirigée par Haritz Sardon Muguruza y Fernando Ruiperez Cillán

2018

  1. Predictive kinetics in homogeneous catalysis

    Szlapa, Ewa Natalia

    Dirigée par Jesús María Ugalde Uribe-Etxebarria
  2. Computational design of organic diradicals for energy applications

    LOPEZ CARBALLEIRA, DIEGO

    Dirigée par Aurelio Mateo Alonso, Fernando Ruiperez Cillán y José María Asúa González

2017

  1. Mechanochemical evolution of the giant muscle protein tititn as inferred from resurrecter proteins

    MANTECA GONZALEZ, AITOR

    Dirigée par Raúl Pérez Jiménez y David de Sancho Sánchez
  2. Protein oxidation by the attack of OH radicals

    URANGA BARANDIARAN, JON

    Dirigée par Jon Mattin Matxain Beraza y Jesús María Ugalde Uribe-Etxebarria

2014

  1. Structure and electronic properties of endohedrally doped ii-vi hollow nanoclusters

    JIMENEZ IZAL, ELISA

    Dirigée par Jesús María Ugalde Uribe-Etxebarria y Jon Mattin Matxain Beraza
  2. Computational modeling of semiconductor nanostructures

    AZPIROZ APECECHEA, ION MIKEL

    Dirigée par Jesús María Ugalde Uribe-Etxebarria

2012

  1. Metanoaren aktibazioa hamargarren taldeko metal hibrido hidróxido/sulfhidrido katioien bitartez katalizatua

    LAKUNTZA IRIGOIEN, OIER

    Dirigée par Jesús María Ugalde Uribe-Etxebarria

2010

  1. Theoretical Characterization of Pentacovalent Oxyphosphorane Intermediate Structures of the Hydrolysis of RNA catalyzed by RNase A

    Formoso Estensoro, Elena

    Dirigée par Xabier López Pestaña

2009

  1. Aluminio katioiaren amino azido aromatikoen gaineko eraginaren azterketa konputazionala/computational study of the effect of aluminum cation on aromatic amino acids

    LARRUCEA CORCHERO, JULEN

    Dirigée par Jesús María Ugalde Uribe-Etxebarria

2007

  1. Study of protein-protein interactions involved in cancer metastases and autoimmune diseases. Design of new antimetastatic molecules

    SAN SEBASTIAN LARZABAL, EIDER

    Dirigée par Fernando Pedro Cossío Mora y Xabier López Pestaña
  2. Binding and specificity of aluminium in proteins.

    REZABAL ASTIGARRAGA, ELIXABETE

    Dirigée par Jesús María Ugalde Uribe-Etxebarria

2006

  1. Ethylene polymerization by group iv transition metal metallocenes

    SILANES CRISTOBAL, IÑAKI

    Dirigée par Jesús María Ugalde Uribe-Etxebarria
  2. Twisted amides: characterization of their electronic structure and analysis of their accelerated hydrolysis

    MUJIKA GOROSTIDI, JON IÑAKI

    Dirigée par Xabier López Pestaña