Tesis doctorals (IQCC)

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Tesis i dissertacions acadèmiques [28]

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Thesis [63]

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Project Acronym

EVOLUCION COMPUTACIONAL DE ENZIMAS MEDIANTE LA EXPLORACION DE LA SUPERFICIE CONFORMACIONAL [2]
NetMoDEzyme [2]
AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION [1]
CARACTERIZACION MULTIESCALAR DE INTERMEDIOS REACTIVOS PARA EL DESCUBRIMIENTO Y DISEÑO DE NUEVAS ACTIVIDADES BIOCATALITICAS [1]
CATALISIS BIOMIMETICA DE CICLACIONES CARBOCATIONICAS CON RECEPTORES SINTETICOS [1]
CATALISIS DE OXIDACION BIOINSPIRADA MEDIANTE DISEÑO RACIONAL DE CATALIZADORES [1]
CHARACTERIZATION AND PREDICTION OF SHORT-LIVED TRANSITION-METAL SPECIES [1]
CORRELATING FUNCTIONALITY [1]
ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION. NUEVOS DESARROLLOS EN AROMATICIDAD, FUNCIONALES DE LA DENSIDAD Y QUIMICA SUPRAMOLECULAR [1]
GENERACION Y CARACTERIZACION DE ESPECIES DE HIERRO Y MANGANESO EN ALTOS ESTADOS DE OXIDACION, Y SU USO EN CATALISIS ASIMETRICA [1]
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Jerarquia

Now showing items 1-24 of 63

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Development of novel computational protocols for the design of efficient enzymes

2024-09-13 Thesis

Casadevall Franco, Guillem

Exploring the reactivity of in situ generated metal vinylcarbenes

2024-07-15 Thesis

Díaz Jiménez, Àlex

Applications of supramolecular nanocapsules: regioselective functionalization of fullerenes and molecular recognition of endohedral metallofullerenes

2024-06-14 Thesis

Pujals Crusat, Míriam

Oriented external electric fields in chemistry: development and application of new methods to simulate molecular response properties and reactivity

2024-05-20 Thesis

Besalú Sala, Pau

Exploring the boundaries of aromaticity through computational analysis of excited states and complex molecular topologies

2024-05-14 Thesis

Escayola Gordils, Sílvia

Development of flexible cavitand receptors based on calix[5]arene. Rational design, synthesis and study of their properties

2023-11-07 Thesis

Álvarez Yebra, Rubén

Density functional theory to the rescue of transition-metal chemistry

2023-10-09 Thesis

Martins, Frederico F.

Gold complexes based on (N,C) and (N,C,C) chelating ligands: ligand design and reactivity studies in cross-coupling catalysis

2023-10-06 Thesis

Font Rubio, Pau

Multiscalar strategies for the characterization of engineered P450 enzymes

2023-09-19 Thesis

Soler i Parpal, Jordi

Implementing amino acids in manganese-catalyzed biologically inspired oxidations: g-lactonization and ligand design

2023-07-18 Thesis

Vicens Serra, Laia

Computational exploration and design of HHDH variants with novel synthetically useful functionalities

2023-07-07 Thesis

Estévez-Gay, Miquel

Rhodium-catalyzed cyclization reactions of 1,5-bisallenes involving alkenes and alkynes: experimental and theoretical studies

2023-04-21 Thesis

Vila Vadrí, Jordi

Development and application of new methodologies for chemical bonding analysis

2023-03-27 Thesis

Gimferrer Andrés, Martí

Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis

2023-03-13 Thesis

Curado Carballada, Christian

Computational studies of epoxide hydrolase-catalyzed ring-opening reactions

2022-07-20 Thesis

Serrano Hervás, Eila

Bioinspired ligands and model substrates for the mechanistic elucidation of oxygen activation and cross-coupling reactions mediated by first-row transition metals

2022-05-16 Thesis

Magallón Gubau, Carla

Agua, actores sociales y servicios de los ecosistemas en la cuenca del río Muga. Una aproximación socioecológica

2022-01-31 Thesis

Garau, Enrica

Enzymatic and bioinspired iron oxidation chemistry: a computational study

2021-12-10 Thesis

D'Amore, Lorenzo

Carboxylic acids as directing groups for intramolecular catalytic oxidation of unactivated C(sp3)-H bonds with bioinspired catalysts

2021-12-03 Thesis

Cianfanelli, Marco

Computational studies oriented towards the development of a greener chemistry

2021-03-26 Thesis

Luque Urrutia, Jesús Antonio

Computational studies of the conformational landscape of allosteric and enantioselective enzymes

2021-02-12 Thesis

María Solano, Miguel Ángel

Bioinspired metal-based oxidants: selectivity in catalytic hydroxylation of aliphatic C-H bonds and insight into the reactivity of oxoiron species

2020-12-03 Thesis

Dantignana, Valeria

Supramolecular nanocapsules as platforms for molecular recognition and reactivity in confined spaces

2020-07-23 Thesis

Fuertes Espinosa, Carles

Cyclization reactions for the functionalization of fullerenes: experimental and theoretical studies

2020-01-31 Thesis

Artigas Ruf, Albert

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