Master Studies

Prospective students are mainly graduates in chemistry, but the Master is also open to graduates in Biotechnology, Chemical Engineering and Materials Science, who wish to pursue a career in research, innovation and development, both in the industry and at the university, through access to doctoral studies.
The course provides students with the skills needed to address the design of new synthesis of products based upon processes catalyzed by transition metals, integrating the most innovative synthetic routes, and directing the students towards more sustainable, efficient and economical catalytic methodologies. This Master provides also the students the opportunity to endeavor a more theoretical or computational approach to the subject.

More information can be found at http://iqcc.udg.edu/macmom/

Industry


Location: Ludwigshafen (Germany)

Location: Riudellots de la selva, Girona (Spain)

Location: Sant Celoni, Barcelona (Spain)

Location: Celrà, Girona (Spain)

Location: Strombeek-Bever (Belgium)

Location: Riudellots de la selva, Girona (Spain)

Location: Hostalnou de Bianya, Girona (Spain)


Master Theses

Title: Expanding the regioselective functionalization of C60 fullerene using the supramolecular mask strategy
Author: Tània Pèlachs
Director: Xavi Ribas / Marc Garcia-Borràs
Department: Universitat de Girona
Defense date: 2021, September
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Exploring the intramolecular chemistry of iron(V)-oxo-carboxylato species
Author: Andrea Michelle Álvarez
Director: Anna Company
Department: Universitat de Girona
Defense date: 2021, September
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis of MQ silicone resins
Author: Ferran Oliveras
Director: Miquel Costas / industry Concentrol
Department: Universitat de Girona
Defense date: 2021, September
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis and reactivity of boron and nitrogen containing aromatic rings
Author: Antoni Pagés
Director: Pedro Salvador / Diego Andrada (Uni Saarlanden)
Department: Universitat de Girona
Defense date: 2021, September
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Molecular dynamics simulations for the encapsulation of fullerenes into supramolecular nanocapsules
Author: Clara Sabrià
Director: Ferran Feixas / Xavi Ribas
Department: Universitat de Girona
Defense date: 2021, September
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Real-space quantification of donor/acceptor properties of ligands in transition metal complexes
Author: Pol Vehí
Director: Pedro Salvador
Department: Universitat de Girona
Defense date: 2021, September
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Tuning RAHB strength with aromatic chameleon character of fulvenes
Author: Núria Alsina Pla
Director: Silvia Simón and Miquel Solà
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Modelling DHI dimer stability and optical absorption with neural networks
Author: Daniel Bosch i Coch
Director: Lluís Blancafort
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Computational study of ambimodal reactions
Author: Anna Díaz Carré
Director: Josep M. Luís
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Modelling porphyrin electronic excitation by collisions
Author: Judit Gálvez Benitez
Director: Lluís Blancafort and Marco Bortoli
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Predictive Catalysis on Carbene Reactivity: From DFT to Experiments
Author: Roger Monreal Corona
Director: Albert Poater and Anna Pla
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Process optimization for Olopatadine Hydrochloride synthesis
Author: Neus Pagès i Vilà
Director: Xavi Ribas and Mireia Rovira (Medichem)
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Development of UV curing products for the automotive refinish coatings market
Author: Aina Ribas Massonis
Director: Albert Poater and Magalí Cicujano (Roberlo)
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Bis-functionalization of C60 governed by tethers: a combined experimental and theoretical study
Author: Nil Roig Vidal
Director: Anna Roglans and Miquel Solà
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Exploring new reactivity pathways of 1,5-bisallenes in Rh-catalyzed cyclizations
Author: Roger Vinardell i Pla
Director: Anna Pla and Miquel Solà
Department: Universitat de Girona
Defense date: 2021, July
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Investigation of two type of natural BOLA surfactants
Author: Gemma Font
Director: Pedro Salvador / industry P&G
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Formulation and assessment of alternative surfactant systems for dishwashing liquids
Author: Adrián Álvarez
Director: Pedro Salvador / industry P&G
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis and characterization of chiral syn-dihydroxylation iron catalysts and their study through steric map
Author: Najoua Choukairi
Director: Miquel Costas / Wesley Browne
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: An intermolecular-interactions perspective: Interaction-induced nonlinear optical properties and infrared spectra of molecular complexes
Author: Àlex Iglesias
Director: Josep Maria Luis / Robert Zalesny
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Activation of nitrous oxide using transition metals: overview and theoretical study of the efficiency of eight systems.
Author: Adrià Juvanteny
Director: Anna Company / Josep Maria Luis
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Carboxylic acid directed Mn-catalyzed γ-C-H lactonization: DFT analysis of the Hydrogen Atom Transfer reaction
Author: Maria Eugénia López
Director: Miquel Costas / Josep Maria Luis
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Optimization of the Cinacalcet Hydrochloride Process
Author: Jairo Montes
Director: Xavi Ribas / industry Medichem
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Encapsulation of diatomic pnictogen molecules by fullerenes: is it possible? A theoretical assessment
Author: Enric Sabater
Director: Miquel Costas / Wesley Browne
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Insights into reaction mechanism of alcohols oxidation catalysed by Ru(IV)-oxo complexes
Author: Anna Vidal
Director: Albert Poater
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Development of a range of UV-curing products
Author: Albert Corvillo
Director: Albert Poater and Magalí Cicujano (Roberlo)
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Development of a water-based paint technology platform
Author: Andrea Fernández
Director: Albert Poater and Raquel Ortuño (Concentrol)
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Recovery of rhodium from hydroformylation residues
Author: Yuhui Wang
Director: Anna Company and Miriam Sau (Givaudan)
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Computational Study of Site-Selective Ruthenium-Catalysed C-H Arylations with Weak-Directing Groups
Author: Artur Brotons
Director: Albert Poater
Department: Universitat de Girona
Defense date: 2020
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Molecular dynamics of the encapsulation of fullerene derivatives in tetragonal prismatic nanocapsules
Author: Yarkin Aybars
Director: Xavi Ribas / Ferran Feixas
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Interplay between oxidation states and Mössbauer paràmetres from first principles
Author: Gerard Comas
Director: Pedro Salvador
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Reactivity of carbene-borane complexes. Towards the synthesis of multiple bonds compounds.
Author: Sergi Danés
Director: Pedro Salvador and Diego Andrada (U Saarland)
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Design and development of Earth-abundant metal catalysts towards C-H functionalization reactions
Author: Merve Gözdnur Demirbek
Director: Alicia Casitas
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: A leap towards the rational design of supramolecular host using MD simulations Techniques
Author: Ricard López
Director: Agustí Lledó and Ferran Feixas
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Investigation of cleaning technology in detergency
Author: Joel Nadal
Director: Pedro Salvador/ industry P&G
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Bond analysis in standard and cooperative hydrophenoxylation of alkynes catalysed by group 11 metals
Author: Miguel Ramos
Director: Albert Poater
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Fatty acid derivatives: esterification of fatt alcohols and polyethers
Author: Lorenzo Rico
Director: Miquel Costas/ industry Concentrol
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Rationalizing the shape of photocatalytically active gold nanoplatelets on graphene
Author: Gerard Riesco
Director: Lluís Blancafort
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Tuning electronic effects in nickel complexes relevant in C-H activation
Author: Charafa Souilah
Director: Anna Company
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Dehydrogenative Si-O coupling
Author: Daniel Villá
Director: Miquel Costas / industry Concentrol
Department: Universitat de Girona
Defense date: 2019
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Design of optimillay-tuned range-separated functionals for the evaluation of nonlinear optical properties
Author: Pau Besalú
Director: Josep M. Luis and Pedro Salvador
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Origin-independent based decomposition of nonlinear optical properties
Author: Marc Montilla
Director: Pedro Salvador
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Study of higher-order cycloadditions: are they more difficult to perform than the usual ones?
Author: Otger Crehuet
Director: Miquel Solà
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Cyclization reactions of unsaturated compounds catalysed by metal carbenes
Author: Àlex Díaz
Director: Anna Pla
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Flow chemistry and thiolated polymers
Author: Aleix Casademont
Director: Xavi Ribas / industry Medichem
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis of Fragrance Ingredients
Author: Lluc Esbert
Director: Anna Company / industry Givaudan
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Conformational Ancestral Promiscuity
Author: Guillem Casadevall
Director: Sílvia Osuna and Ferran Feixas
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Molecular Dynamics simulations for the study of the novel halohydrin dehalogenase Hhe-G with activity towards bulky epoxides
Author: Leila Pujal
Director: Sílvia Osuna
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Unravelling allosteric pathways of imidazole glycerol phosphate synthase (IGPS)
Author: Carla Calvó
Director: Sílvia Osuna / Javier Iglesias-Fernández
Department: Universitat de Girona
Defense date: 2018
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Electronic tuning of mononuclear high-valent nickel-oxygen species and nickel-catalyzed chlorination of C-H bonds
Author: Carlos Garcia
Director: Anna Company
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Improvement of dehydration of secondary alcohol to obtain a fragance
Author: Màrius Duñach
Director: Anna Roglans and industry Givaudan
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Optimització i millora de processos de fabricació d’un principi actiu farmacèutic
Author: Adrià Fita
Director: Xavi Ribas and industry Medichem
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: The role of the metal in the dual-metal catalyzed hydrophenoxylation of alkynes
Author: Oscar González
Director: Albert Poater
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Photochemical and Photophysical characterization of Pyrrole-water cluster
Author: Sílvia Escayola
Director: Lluis Blancafort
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Molecular Energy Decomposition Schemes for Density Functional Theory

Author: Martí Gimferrer
Director: Pedro Salvador
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Mechanism of the Suzuki-Miyaura Cross-Coupling Reaction of Amide substrates mediated by [Pd(NHC)(allyl)Cl] precatalysts
Author: Èric Casals
Director: Albert Poater
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Study of the reactivity of pyridylamino cobalt complexes against electrophiles: transforming small molecules into fuels
Author: Sergio Fernández
Director: Josep M. Luis and Julio Lloret
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Tailoring resonance assisted hydrogen bonds
Author: Gerard Pareras
Director: Sílvia Simon and Miquel Solà
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Study on the role of carboxylates as coupling partners in oxidant-free Au(I)-catalyzed cross-coupling reactions
Author: Pau Font
Director: Xavi Ribas and Anna Company
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Strategy for the covalent linking of amino acids to bioinspired oxidation catalysts.
Author: Laia Vicens
Director: Miquel Costas
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis of new polyol polyesters for their use in formulations of polyurethane prepolymer with terminal isocyanate
Author: Eduard Barcelona
Director: Miquel Costas and industry Concentrol
Department: Universitat de Girona
Defense date: 2017
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Study of halide exchange and cross-coupling reactions using Ag-Catalyst in two-electron redox catalysis
Author: Lorena Capdevila
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Process Optimization of Dabigatran and clozapine intermediate
Author: Irene Ferrer
Director: Xavi Ribas and industry Medichem
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis of metalloporphyrins and their application in supramolecular chemistry as nanoreceptors for fullerene encapsulation
Author: Christian Curado
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Combined theroretical and experimental study towards the C-H activation mechanism and competition experiments for a better understanding of directing group power
Author: Irene Mayoral
Director: Pedro Salvador
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Development of a biologically inspired non-heme iron catalyst with a sterically demanding ligand
Author: Margarida Borrell
Director: Miquel Costas
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Carboxylates vs phosphonates in water oxidation catalysis
Author: Jesus Antonio Luque
Director: Albert Poater
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis and characterization of a mononuclear cobalt-dioxygen species. Reactivity studies in oxidation reactions.
Author: Carla Magallón
Director: Anna Company
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Formulation of new tin-free release agents as an alternative to organotin-based catalysts for molded polyurethane foams
Author: Eduard Masferrer
Director: Miquel Costas and industry Concentrol
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis of a new supramolecular nanocapsule for fullerene encapsulation, purification, and functionalization
Author: Alba Monferrer
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Interplay of catalysis and dynamics in the scavenger decapping enzyme
Author: Ferran Planas
Director: Sílvia Osuna
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Computational Exploration of Epoxide hydrolases enantiopreference towards substrate control
Author: Eila Serrano
Director: Sílvia Osuna and Marc Garcia-Borràs
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Transference of a validation method for products J and L
Author: Vanessa Vivet
Director: Anna Pla-Quintana / Ester Serra (Zoetis)
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Improved application of microsolvation to chemical problems
Author: Moad El Mahdali
Director: Pedro Salvador Sedano
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis of Fragance Ingredients
Author: Adrià Pachecho Aceña
Director: Anna Roglans / Joaquim Mola (Givaudan)
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Computational assessment of the properties of a Cu-based family of photosensitizers.
Author: Irene Casademont Reig
Director: Eduard Matito / Eloy Ramos-Cordoba (Donostia International Physics Center)
Department: Universitat de Girona
Defense date: 2016
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Selective separation of fullerenes and EMFs mediated by supramolecular nanocapsules
Author: Fuertes Espinosa, Carles
Director: Xavi Ribas
Department: Universitat de Girona – UAB
Defense date: 2015, october


Title: Aliphatic C-H hydroxylation and desaturation catalyzed by non-heme iron complexes
Author: Cabruja, Miquel
Director: Miquel Costas
Department: Universitat de Girona
Defense date: 2015, july


Title: Novel Cobalt Water Reduction Catalysts functionalized with Pyrene as non-covalent anchoring group
Author: Vignatti, Clàudia
Director: Julio Lloret-Fillol / Miquel Costas
Department: Universitat de Girona
Defense date: 2014, september
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Au(I)/Au(III) Redox Cycles in Halide Exchange and Fluorination Catalysis
Author: Serra Parareda, Jordi
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2014, september
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Unravelling the water oxidation mechanism of novel tacn-based ruthenium complexes
Author: Casadevall Serrano, Carla
Director: Julio Lloret-Fillol
Department: Universitat de Girona
Defense date: 2014, september
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis of iron complexes with aminocarbene ligands
Author: Rodríguez Serrat, Mònica
Director: Miquel Costas
Department: Universitat de Girona
Defense date: 2014, september
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Rhodium-catalysed [2+2+2] cycloaddtition reaction of allene-ene-yne substrates: reactivity and theoretical mechanistic studies
Author: Daniel Cassú Ponsatí
Director: Anna Roglans
Department: Universitat de Girona
Defense date: 2014
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Mechanism of action of Salen-Manganese antioxidant complexes: The Catalase reaction to neutralize reactive oxygen species
Author: Adrian Romero-Rivera
Director: Marcel Swart
Department: Universitat de Girona
Defense date: 2014
Master: Master in Advanced Catalysis and Molecular Modelling


Title: Synthesis and characterization of polymers based on polysiloxane and how they change the physical properties of polyurethane foams
Author: Adrian López Lastra
Director: Miquel Costas / Jaume Guardia (Concentrol)
Department: Universitat de Girona
Defense date: 2014
Master: Master in Advanced Catalysis and Molecular Modelling


Title: New carbocyclization of diynetosylhydrazones: experimental and theoretical mechanistic studies
Author: Òscar Torres Antón
Director: Anna Pla-Quintana
Department: Universitat de Girona – UAB
Defense date: 2013, september


Title: Recyclable rhodium catalysts for [2+2+2] cycloaddition reactions based on hybrid silica materials
Author: Martí Fernández Wang
Director: Anna Roglans, Roser Pleixats
Department: UdG – UAB
Defense date: 2013, september


Title: Estudi teòric del mecanisme de formació de piridazinones N-arilades a partir de sals de diazoni
Author: Ouissam El Bakouri El Farri
Director: Anna Roglans, Miquel Solà
Department: Universitat de Girona
Defense date: 2013, september


Title: Theoretical characterization and identification of Electrides
Author: Verònica Postils
Director: Eduard Matito i Gras, Josep M. Luis and Miquel Solà
Department: Universitat de Girona
Defense date: 2013, september


Title: Improved hybrid
functionals for an accurate description of doublet-quartet splitting in
three-electron harmonium atom
Author: Mauricio Rodríguez
Director: Eduard Matito i Gras and Miquel Solà
Department: Universitat de Girona
Defense date: 2013, september


Title: Preparation of a series of cobalt and copper complexes based on dianionic amide ligands for nitrous oxide activation
Author: Mª Teresa Corona Prieto
Director: Anna Company
Department: Universitat de Girona – UAB
Defense date: 2013, september


Title: Modeling Iron Halogenases: Synthesis and Reactivity of Halide-Iron(IV)-oxo Compounds. Determination of Oxidation products by GC/FID and GC-MS methodologies
Author: Oriol Planas Fàbrega
Director: Anna Company
Department: Universitat de Girona
Defense date: 2013, june


Title: Development of GC methodologies to analyse catalysed coupling reaction products
Author: Ming-Zheng Wang
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2013, june


Title: Development of a new copper-catalyzed methodology for the synthesis of methyl phenyl sulfides deivatives using DMSO
Author: Mireia Rovira Coll
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2013, june


Title: Complexos metàl•lics com a catalitzadors en reaccions Fenton-like a pH neuter per l’eliminació de compostos organics persistents en aigua
Author: Maite Canals Guimerà
Director: Anna Company
Department: Universitat de Girona
Defense date: 2013, february


Title: Chromatographic techniques applied to the analysis of catalytic oxidation reactions
Author: Carlota Clarasó Petit
Director: Miquel Costas / Alfons Polo
Department: Universitat de Girona
Defense date: 2013


Title: Synthesis and Reactivity of Mn(IV) Complexes
Author: Olaf Cussó
Director: Miquel Costas and Xavi Ribas
Department: Universitat de Girona
Defense date: 2012, july


Title: O2 binding in a novel unsymmetric ligand
Author: Joan Serrano
Director: Anna Company and Miquel Costas
Department: Universitat de Girona
Defense date: 2012, july


Title: Theoretical study of water oxidation mechanism with iron catalysts
Author: Ferran Acuña Parés
Director: Josep M. Luis
Department: Universitat de Girona
Defense date: 2012


Title: High-valent non heme iron species
Author: Gerard Sabenya Vila
Director: Julio Lloret / Miquel Costas
Department: Universitat de Girona
Defense date: 2012


Title: Photo- and electrochemical H2 production using catalysts based on tacn and 1st row transition metals
Author: Arnau Call
Director: Julio Lloret Fillol
Department: Universitat de Girona
Defense date: 2012


Title: Size-Tunable metalloporphyrinic nanocapsules for Host-Guest chemistry and oxidation catalysis
Author: Cristina García Simón
Director: Miquel Costas and Xavi Ribas
Department: Universitat de Girona
Defense date: 2011, may


Title: Síntesi de derivats de tiofè i benzo[b]tiofè mitjançant reaccions de formació d’enllaços C-C catalitzades per Pd
Author: Mónica Raduán Doménech
Director: Anna Roglans, Anna Pla-Quintana
Department: Universitat de Girona
Defense date: 2011, july


Title: Exploring the exohedral reactivity and selective encapsulation of fullerene compounds
Author: Marc Garcia Borràs
Director: Josep M. Luis
Department: Universitat de Girona
Defense date: 2011


Title: Estudis metodològics i mecanístics de reaccions de cicloaddició [2+2+2] catalitzades per Rh(I)
Author: Magdalena Parera
Director: Anna Roglans, Anna Pla-Quintana
Department: Universitat de Girona
Defense date: 2010, september


Title: A computational study on the cross coupling reaction mechanism of a well-defined aryl-CuIII and a carboxylic acid
Author: Mercè Canta Roldós
Director: Miquel Costas and Xavi Ribas
Department: Universitat de Girona
Defense date: 2010, september


Title: Mechanistic studies in bioinspired iron oxidation catalysts
Author: Irene Prat Casellas
Director: Miquel Costas and Xavi Ribas
Department: Universitat de Girona
Defense date: 2010, september


Title: Síntesi de productes amb interès biològic mitjançant reaccions de cicloaddició [2+2+2] catalitzades per Rh(I)
Author: Lídia Garcia López
Director: Anna Roglans Ribas, Anna Pla-Quintana
Department: Universitat de Girona
Defense date: 2009, july


Title: Reacciones de cicloadición [2+2+2] catalizadas por Rh(I) de macrociclos triínicos y endiínicos
Author: Sandra Brun Massó
Director: Anna Roglans Ribas
Department: Universitat de Girona
Defense date: 2009, july


Title: Theoretical investigation of the relative stability of XAAX and its isomer X2A2 (X = H, F, Cl, Br, I, Li, Na, and A = S, O)
Author: Majid El Hamdi Lahfid
Director: Jordi Poater
Department: Universitat de Girona
Defense date: 2009


Title: Rhodium(I)-catalyzed [2+2+2] cyclotrimerization reactions on triacetylenic systems: Density Functional Theory studies
Author: Anna Dachs Soler
Director: Miquel Solà, Anna Roglans
Department: Universitat de Girona
Defense date: 2008, september


Title: Estudi teòric sobre la caracterització de Citocroms C utilitzant NMR
Author: Lluís Armangué Fraixinó
Director: Marcel Swart
Department: Universitat de Girona
Defense date: 2008, september


Title: Conformational Study of aromatic dimers with À-À interactions
Author: Miquel Huix Rotllant
Director: Josep M. Luis
Department: Universitat de Girona
Defense date: 2008


Title: Study of the Diels-Alder reaction on endohedral fullerenes
Author: Silvia Osuna Oliveras
Director: Marcel Swart
Department: Universitat de Girona
Defense date: 2007, june


Title: Analysis of
electron delocalization in aromatic compounds
Author: Ferran Feixas
Director: Eduard Matito i Gras, Miquel Solà and Jordi Poater
Department: Universitat de Girona
Defense date: 2007, july


Title: Aryl-CuIII complexes as key intermediates in C-Halide and C-Oxygen bond formation in cross-coupling reactions
Author: Alícia Casitas Montero
Director: Miquel Costas and Xavi Ribas
Department: Universitat de Girona
Defense date: 2007, july


Title: Anàlisi de l’aromaticitat de complexos pi/catió liti i anàlisi de les contribucions orbitals moleculars individuals a l’índex de deslocalització para (PDI) en sistemes aromàtics
Author: Güell Serra, Mireia
Director: Josep M. Luis
Department: Universitat de Girona
Defense date: 2006


Title: Síntesi i reactivitat de nous macrocicles nitrogenats poliinsaturats
Author: Iván González Molina
Director: Anna Roglans
Department: Departament de Química, Universitat de Girona
Defense date: 2005, october


Title: Proper descriptions of the interaction between stacked DNA bases and Watson-Crick base pairs using density functional theory
Author: Tushar van der Wijst
Director: Marcel Swart
Department: Universitat de Girona
Defense date: 2005, april


Title: Macrocicles nitrogenats de 15 membres contenint triples enllaços. Estudi de la seva complexació amb Pal•ladi(0) i de la seva cicloisomerització amb diferents metalls de transició
Author: Anna Torrent Palomeras
Director: Anna Roglans
Department: Departament de Química, Universitat de Girona
Defense date: 2004, september


Title: Reacció de Heck: I.- Preparació estereoespecífica de 3-aril-3-heteroarilacrilonitrils. II.- Complexos de Pd(0) amb lligands macrocíclics triolefínics com a catalitzadors recuperables i reutilitzables
Author: Judit Masllorens Llinàs
Director: Anna Roglans, Antoni Llobet
Department: Departament de Química, Universitat de Girona
Defense date: 2003, september


Title: Síntesi, estructura i propietats redox de nous complexos macrocíclics triazatriolefínics de Pd(0) i llurs elèctrodes modificats de polipirrol. Aplicacions en catàlisi
Author: Ester Maslllorens Llinàs
Director: Anna Roglans
Department: Departament de Química, Universitat de Girona
Defense date: 2003, september


Title: Density Functional Theory applied to copper proteins
Author: Marcel Swart
Director: J.G. Snijders, H.J.C. Berendsen, G.W. Canters
Department: Groningen
Defense date: 2002, september


Title: Macrocicles nitrogenats contenint unitats de ferrocè i llurs complexos amb Pal•ladi(0). Aplicacions i catàlisi
Author: Anna Pla Quintana
Director: Anna Roglans
Department: Departament de Química, Universitat de Girona
Defense date: 2002, july


Title: Avaluació de la duresa global utilitzant models simplificats del kernel de duresa
Author: Torrent Sucarrat, Miquel
Director: Josep M. Luis
Department: Universitat de Girona
Defense date: 2002