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

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Master Thesis

Title: Synthesis, Characterization and Catalytic Applications of Au(I) and Au(III) Complexes: Redox Catalysis and Hydrogen Production via Ligand Tuning
Author: Nora Alpuente Jiménez
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2024. September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Study of the effect of electric fields and the kinetics in the CO2 reduction catalyzed by an NHC-based manganese complex
Author: Guillem Pey Costa
Director: Josep Maria Luis
Department: Universitat de Girona
Defense date: 2024. September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Revisiting aromaticity tests to include lowest-lying triplet states and charged and heterocyclic rings
Author: Maria Cabrero Martí
Director: Miquel Solà
Department: Universitat de Girona
Defense date: 2024. September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Enantioselective Y-Lactonization Mediated by Biologically Inspired Catalysts
Author: Laia Rodríguez Arrom
Director: Miquel Costas
Department: Universitat de Girona
Defense date: 2024. September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Design of a putty – primer for the purpose of eliminating coating steps in car refinishing
Author: Maria Pagès Corominas
Director: Anna Pla-Quintana
Department: Universitat de Girona
Defense date: 2024. September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Validation of the application of steered molecular dynamics (SMD) in ligand-protein complexes as a method to prioritize hits obtained from docking-based virtual screenings
Author: Ainhoa Hernández-Capalleja
Director: Sílvia Simon
Department: Universitat de Girona
Defense date: 2024, June
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: To be defined
Author: Elisabeth González
Director: Anna Pla-Quintana
Department: Universitat de Girona
Defense date: 2024, June
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Selective y-Lactonization of Primary C-H Bonds Catalyzed by Manganese Complexes: Computational Study and Predictive Model Development
Author: Jan Gasulla
Director: Josep Maria Luis
Department: Universitat de Girona
Defense date: 2024, June
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Exploring the conformational dynamics of Tryptophan Synthase
Author: Mario Bonachea
Director: Sílvia Osuna
Department: Universitat de Girona
Defense date: 2024, June
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Resolving the controversy between machine learning and experiment
Author: Jonnely Rissell Luizaga Gonzales
Director: Marcel Swart
Department: Universitat de Girona
Defense date: 2023, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Synthesis of cyclic sulfamates by a rhodium-catalyzed nitrene/alkyne metathesis
Author: Nil Insa i Carreras
Director: Anna Roglans
Department: Universitat de Girona
Defense date: 2023, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Mechanochemical synthetic approach to supramolecular assemblies: From metallic synthons to guest encapsulation in nanocapsules.
Author: Eva Prat i Font
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2023, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: New Freshness Method Development for Performance Assessment of Fabric Care Products
Author: Maria del Mar Villá Roldán
Director: Anna Pla-Quintana / Industry P&G
Department: Universitat de Girona
Defense date: 2023, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Kinetic study of interfacial emulsion polymerization
Author: Paula Margalef Borrell
Director: Anna Pla-Quintana / Industry P&G
Department: Universitat de Girona
Defense date: 2023, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Development of Water-based 2K-PUR Clear coat for the Automotive Refinish
Author: Daniela Panuta / Industry Roberlo
Director: Albert Poater
Department: Universitat de Girona
Defense date: 2023, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Preliminary tests for transferring a new method of impurities for steril penicillin derivative
Author: Ester Ruíz-Ruano Puigderrajols / Industry Novartis
Director: Anna Pla-Quintana
Department: Universitat de Girona
Defense date: 2023, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Development of a new protocol towards the synthesis of nanographene-like compounds via aromatic homologation catalysis
Author: Judith Sala Teixidor
Director: Xavi Ribas
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Assessing the photocatalytic activity of Au(111) nanoplatelets on graphene
Author: Sara Pibernat Cabañas
Director: Lluís Blancafort
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Synthesis and characterization of new sterically congested Mn complexes and their application in asymmetric γ-lactonization of non-activated C-H bonds
Author: Eric Aparicio Montaño
Director: Miquel Costas
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Synthesis of functionalized fullerenes for their application in perovskite solar cells
Author: Joan Vall-Llosera Soler
Director: Anna Roglans
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: []
Author: Sergi Arasil Torroella
Director: Anna Pla-Quintana / Industry P&G
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: 5M Program to develop end to end quality control of HDPE bottles with Post-Consumer Recycled (PCR) plastics
Author: Imma Betriu Albiñana
Director: Anna Pla-Quintana / Industry P&G
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Synthesis of iron(II) complexes and study of their catalytic activity in asymmetric carbene transfer reactions
Author: David Capellán Busquets
Director: Miquel Costas
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Evaluation of quantum-mechanical methods for the calculation of nonlinear optical properties by partitioning the properties into molecular orbitals
Author: Guillem Vila Siles
Director: Josep Maria Luis
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Computational study of nanographenes formation via Scholl reaction
Author: Cristina Berga Domínguez
Director: Sílvia Simon
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: []
Author: Núria Dalemus Colls
Director: Anna Pla-Quintana / Industry P&G
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Synthesis of fatty acid esters with block copolymers formed by polyethylene and polypropylene homopolymers. Study of regeneration and methods of cation exchange resins by recovery of acid catalyst in silicone polymerization processes. Study of the substitution of the catalyst commonly used in the polymerization of silicones.
Author: Joan Maria Suñer Gelada
Director: Miquel Costas / Industry Concentrol
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Stability indicating study for Mepivacaine Hydrochloride
Author: Marc Dalmau Ortiz
Director: Anna Pla-Quintana / Industry Moehs
Department: Universitat de Girona
Defense date: 2022, September
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Mechanism of catalytic thioeterification from nickel complex with N-heterocyclic ligand
Author: Maria Rosa Mollfulleda Palma
Director: Marcel Swart
Department: Universitat de Girona
Defense date: 2022, July
Master: Master in Advanced Catalysis and Molecular Modelling

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Title: Optimization of hydrogenation and hydroformylation reaction
Author: Zoubida Azfan
Director: Anna Company / Industry Givaudan
Department: Universitat de Girona
Defense date: 2022, July
Master: Master in Advanced Catalysis and Molecular Modelling

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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

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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

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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

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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

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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

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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

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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

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

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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

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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

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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

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

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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

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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

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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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