Tesis doctorals (IQCC)

Filtra

Autor/a

Matèria

Tesis i dissertacions acadèmiques [28]

Data

Tipus

Tesi [64]

Llengua (ISO)

Condicions d'accés

Programa de finançament

Projecte

AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION [2]
EVOLUCION COMPUTACIONAL DE ENZIMAS MEDIANTE LA EXPLORACION DE LA SUPERFICIE CONFORMACIONAL [2]
NetMoDEzyme [2]
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]
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 [1]
ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION. NUEVOS DESARROLLOS EN AROMATICIDAD, FUNCIONALES DE LA DENSIDAD Y QUIMICA SUPRAMOLECULAR [1]
...Veure'n més

Jerarquia

Ara es mostren els documents 1-24 de 64

1 2 3

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

Molecular quantum similarity in QSAR: applications in computer-aided molecular design

2004-06-29 Tesi

Gallegos Saliner, Ana

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

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

2009-07-30 Tesi

Güell Serra, Mireia

Interaccions moleculars: correcció de l'error de superposició de base i propietat de les funcions flotants

1998-07-24 Tesi

Simon i Rabasseda, Sílvia

Isomerism and C-H, C-C, O-O, C-O bond activation studies by transition metals

2006-04-24 Tesi

Poater Teixidor, Albert

Dihydrogen bonds: a study

2010-10-21 Tesi

Hugas Germà, David

Development of new tools for local electron distribution analysis

2014-04-11 Tesi

Ramos Cordoba, Eloy

Theoretical studies of the exohedral reactivity of fullerene compounds

2010-03-26 Tesi

Osuna Oliveras, Sílvia

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

2009-10-16 Tesi

Jiménez Halla, José Óscar Carlos

Desenvolupament, implementació i aplicació de noves metodologies per a l'estudi de la reactivitat química i de les propietats òptiques no lineals

2004-06-11 Tesi

Torrent Sucarrat, Miquel

Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity

2006-07-07 Tesi

Matito i Gras, Eduard

Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine

2010-02-05 Tesi

Asturiol Bofill, David

Desenvolupament computacional de la semblança molecular quàntica

1997-05-16 Tesi

Constans Nierga, Pere

Mechanism of action of cyclic antimicrobial peptides

2011-07-01 Tesi

Díaz i Cirac, Anna

Structure and hydrogen dynamic behavior in proton sponge cations and organometallic complexes

2013-12-13 Tesi

Horbatenko, Yevhen

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

2014-07-29 Tesi

Canta i Roldós, Mercè

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

2015-04-10 Tesi

García Simón, Cristina

Computational studies of enzymatic and biomimetic catalysts

2018-12-18 Tesi

Romero Rivera, Adrian

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

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

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

2016-07-20 Tesi

Acuña-Parés, Ferran

Ara es mostren els documents 1-24 de 64

1 2 3