Tesis doctorals (IQCC)

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Tesis i dissertacions acadèmiques [28]

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Tesi [72]

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AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION [3]
DISEÑO Y SINTESIS DE FULLERENOS PARA LA CONSTRUCCION DE CELDAS SOLARES HIBRIDAS DE PEROVSKITA Y FULERENOS D ALTO RENDIMIENTO. UN ENFOQUE EXPERIMENTAL Y COMPUTACIONAL SINERGICO [3]
EVOLUCION COMPUTACIONAL DE ENZIMAS MEDIANTE LA EXPLORACION DE LA SUPERFICIE CONFORMACIONAL [3]
NetMoDEzyme [3]
CATALISIS BIOMIMETICA DE CICLACIONES CARBOCATIONICAS CON RECEPTORES SINTETICOS [2]
CARACTERIZACION MULTIESCALAR DE INTERMEDIOS REACTIVOS PARA EL DESCUBRIMIENTO Y DISEÑO DE NUEVAS ACTIVIDADES BIOCATALITICAS [1]
CATALISIS DE OXIDACION BIOINSPIRADA MEDIANTE DISEÑO RACIONAL DE CATALIZADORES [1]
CATALISIS PREDICTIVA PARA CAMBIAR EL ODEN SECUENCIAL ENTRE EXPERIMENTOS I CALCULOS [1]
CHARACTERIZATION AND PREDICTION OF SHORT-LIVED TRANSITION-METAL SPECIES [1]
CORRELATING FUNCTIONALITY [1]
...Veure'n més

Jerarquia

Ara es mostren els documents 1-24 de 72

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Reaction mechanisms involved in cross coupling processes catalysed by copper and nickel

2017-03-10 Tesi

Rovira Coll, Mireia

Modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control

2014-09-19 Tesi

Ruiz-Barragán, Sergi

Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts

2016-07-20 Tesi

Acuña-Parés, Ferran

Canvis recents en el consum i la gestió de l'aigua en espais turístics. El cas de la Costa Brava (Girona)

2017-02-13 Tesi

Gabarda Mallorquí, Ariadna

Synthesis of molecular nanocapsules for supramolecular host-guest chemistry and enzyme-like catalysis

2015-04-10 Tesi

García Simón, Cristina

Iron and iridium molecular complex for water oxidation catalysis

2014-07-11 Tesi

Codolà Duch, Zoel

On the use of energy decomposition analyses to unravel the origin of the relative stabilities of isomers

2013-10-15 Tesi

El Hamdi Lahfid, Majid

Development of highly structured non-heme iron catalysts for selective C-H group oxidations

2014-07-29 Tesi

Canta i Roldós, Mercè

Computational study of nuclear magnetic shielding constants

2017-11-17 Tesi

Castro Aguilera, Abril Carolina

Gold complexes for homogeneous cross-coupling catalysis and migratory insertion reactions

2018-06-21 Tesi

Serra Parareda, Jordi

First row transition metal carbenes: from supporting ligands to organic reactive fragments

2019-09-27 Tesi

Rodríguez Serrat, Mònica

New challenges in Rh(I)-catalysed [2+2+2] cycloaddition reactions

2017-07-20 Tesi

Fernández Wang, Martí

Bioinspired iron models: from diiron complexes to supramolecular functionalized metallocavitands

2019-07-24 Tesi

Vidal Sánchez, Diego

Theoretical studies of the exohedral reactivity of fullerene compounds

2010-03-26 Tesi

Osuna Oliveras, Sílvia

Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals

2009-07-30 Tesi

Güell Serra, Mireia

Theoretical study of catalytic reactions of carbenes: haptotropic rearrangements and the Dötz reaction

2009-10-16 Tesi

Jiménez Halla, José Óscar Carlos

Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions

2001-12-20 Tesi

Salvador Sedano, Pedro

Development of new tools for local electron distribution analysis

2014-04-11 Tesi

Ramos Cordoba, Eloy

Desenvolupament, implementació i aplicació de nova metodologia pel càlcul de la contribució vibracional a les propietats elèctriques: contribucions de relaxació nuclear i curvatura

1999-06-28 Tesi

Luis Luis, Josep Maria

Computational studies of enzymatic and biomimetic catalysts

2018-12-18 Tesi

Romero Rivera, Adrian

Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds

2018-04-20 Tesi

Cassú Ponsatí, Daniel

Electronic structure, chemical bonding, and electronic delocalization of organic and inorganic systems with three-dimensional or excited state aromaticity

2017-11-22 Tesi

El Bakouri, Ouissam

Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals

2020-01-14 Tesi

Roldán Gómez, Steven

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

2020-01-31 Tesi

Artigas Ruf, Albert

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