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 >>here<<

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)
Location:
Rubí, Barcelona (Spain)
Location:
Barcelona (Spain)
Location:
Barcelona (Spain)
Location:
Barcelona (Spain)
Location:
Malgrat de Mar, Girona (Spain)

Master Thesis

  • Title: Development of an advanced coating system for recreational yacht finishing applications
    Author: Nil Vinardell
    Director: Anna Company / Roberlo
    University: Universitat de Girona. Institut de Química Computacional i Catàlisi
    Defense date: 2026, September
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Palladium-Catalyzed Cascade Reactions of Allenene and Allenyne Substrates
    Author: Miquel Farré
    Director: Anna Pla
    University: Universitat de Girona. Institut de Química Computacional i Catàlisi
    Defense date: 2026, September
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Synthesis and study of molecular receptors based in calixarenes
    Author: Marc Carrasco
    Director: Agustí Lledó
    University: Universitat de Girona. Institut de Química Computacional i Catàlisi
    Defense date: 2026, September
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Development of two-component polyurethane primer surfacers for the automotive refinish coatings market
    Author: Mar Quintana
    Director: Anna Company / Roberlo
    University: Universitat de Girona. Institut de Química Computacional i Catàlisi
    Defense date: 2026, September
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Synthesis, characterization and testing of group III and VIII metal catalysts for lactone polymerization
    Author: Dylan Garcia-Ortega
    Director: Miquel Costas
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Synthesis of novel manganese catalysts for the selective C-H oxidation of a spiro-containing mechanistic probe
    Author: Arnau Plana
    Director: Miquel Costas
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Synthesis and Characterisation of a Four-shell Matryoshka-like Complex
    Author: Dylan Gyula Kercsik
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Bottom-up synthetic approach towards a fluroanthene-based helical nanographene
    Author: Laura Rojas
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Exploring the Limits of Host-Guest Chemistry: Multi-Shell Assembly inside Size-Tunable Tetragonal Prismatic Nanocages
    Author: Angelina Savenko
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Comparative Study of Activator Systems in Phosphoramidite-Based Oligonucleotide Synthesis using a Simplified Model
    Author: Núria Canet
    Director: Anna Roglans / Uatane
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Assessment of the applicability of a 1,2,4-triazole/hexylsilane catalytic system for peptide synthesis
    Author: Ye Wu
    Director: Anna Roglans / Uatane
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Comparative Evaluation of Structure-Based Screening and Fragment-Based Evolution Workflows: Characterization and Performance Analysis
    Author: Adrián Hernández
    Director: Jordi Mestres / Chemotargets
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Design, Synthesis and Characterization of Peptide Nucleic Acids (PNAs) and Lipopeptides as Candidates to Control Xylella fastidiosa
    Author: Mireia Serrat
    Director: Marta Planas / Lippso
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Evaluation of the current clinical landscape for peptide-based cancer vaccines: from literature insights to experimental formulation optimization
    Author: Alba Molas
    Director: Agustí Lledó / BCN peptides
    University: Universitat de Girona
    Defense date: 2026, July
    Master: Master in Advanced Catalysis and Molecular Modelling

  • Title: From sequence to Motion: A Computational Study of Urease in Enzyme-Powered Nanomotors
    Author: Berta Cortada Pérez
    Director: Sílvia Osuna
    University: Universitat de Girona
    Defense date: 2025, September
    Master: Master in Advanced Catalysis and Molecular Modelling
    Title: Advanced Ruthenium (II)-dmso compounds and their application in sustainable catalytic processes
    Author: Izan Roca
    Director: Marisa Romero
    University: Universitat de Girona
    Defense date: 2025, September
    Title: Organometallic nickel(III) and nickel(IV) complexes for coupling reactions
    Author: Pol Massegosa
    Director: Anna Company
    University: Universitat de Girona
    Defense date: 2025, September
    Title: Aproximació supramolecular a la functionalització selectiva de ful·lerens
    Author: Cristian Montiel
    Director: Agustí Lledó
    University: Universitat de Girona
    Defense date: 2025, September
    Title: Theoretical Characterization of Cu(III) Complexes: Resolving Oxidation State Ambiguities in High d-Electron Population Systems
    Author: Marc Freire
    Director: Pedro Salvador
    University: Universitat de Girona
    Defense date: 2025, September
    Title: Computational study of the bonding situation in [M–AR3] systems
    Author: Sergi Serra
    Director: Pedro Salvador
    University: Universitat de Girona
    Defense date: 2025, September
    Title: Synthesis and purification of impurities and pre-validation of an analytical method by the API
    Author: Xavier Monreal
    Director: Agustí Lledó
    University: Universitat de Girona
    Defense date: 2025, July
    Title: Theoretical Insights of p-Block Compounds in Ring Expansion Reactions and Catalysis
    Author: Victor Alonso Lucas Rosales
    Director: Albert Poater
    University: Universitat de Girona
    Defense date: 2025, July
    Title: Estudi dels efectes estèrics en la dimerització dels pentalens substituïts
    Author: Carles Alcaide
    Director: Miquel Solà
    University: Universitat de Girona
    Defense date: 2025, July
    Title: Photophysics and photodynamics of small TiO2 nanoclusters with TD-DFT
    Author: Alejandro Hernández
    Director: Lluís Blancafort
    University: Universitat de Girona
    Defense date: 2025, July
    Title: Transition matal-catalyzed benzannulation reactions for the synthesis of polycyclic aromatic hydrocarbons
    Author: Adrià Montal
    Director: Albert Artigas
    University: Universitat de Girona
    Defense date: 2025, July
    Title: POLIÉTERS: POLIMERITZACIÓ ANIÓNICA EMPRANT ÒXID DE PROPILÈ Y PURIFICACIÓ DE POLIÈTERS
    Author: Andreu Guilayn
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2025, July
    Title: Improving Operational Excellence through Electronic Batch Records
    Author: Marc Valero
    Director: Marta Planas
    University: Universitat de Girona
    Defense date: 2025, July
    Title: INDUSTRIALIZATION DEPARTMENT AT GIVAUDAN IBÉRICA S.A
    Author: Natàlia Gázquez Hernandez
    Director: Anna Pla
    University: Universitat de Girona
    Defense date: 2025, July

  • 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
    University: Universitat de Girona
    Defense date: 2024, September
    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
    University: Universitat de Girona
    Defense date: 2024, September
    Title: Revisiting aromaticity tests to include lowest-lying triplet states and charged and heterocyclic rings
    Author: Maria Cabrero Martí
    Director: Miquel Solà
    University: Universitat de Girona
    Defense date: 2024, September
    Title: Enantioselective Y-Lactonization Mediated by Biologically Inspired Catalysts
    Author: Laia Rodríguez Arrom
    Director: Miquel Costas
    University: Universitat de Girona
    Defense date: 2024, September
    Title: Design of a putty – primer for the purpose of eliminating coating steps in car refinishing
    Author: Maria Pagès Corominas
    Director: Anna Pla-Quintana
    University: Universitat de Girona
    Defense date: 2024, September
    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
    University: Universitat de Girona
    Defense date: 2024, June
    Title: To be defined
    Author: Elisabeth González
    Director: Anna Pla-Quintana
    University: Universitat de Girona
    Defense date: 2024, June
    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
    University: Universitat de Girona
    Defense date: 2024, June
    Title: Exploring the conformational dynamics of Tryptophan Synthase
    Author: Mario Bonachea
    Director: Sílvia Osuna
    University: Universitat de Girona
    Defense date: 2024, June

  • Title: Resolving the controversy between machine learning and experiment
    Author: Jonnely Rissell Luizaga Gonzales
    Director: Marcel Swart
    University: Universitat de Girona
    Defense date: 2023, September
    Title: Synthesis of cyclic sulfamates by a rhodium-catalyzed nitrene/alkyne metathesis
    Author: Nil Insa i Carreras
    Director: Anna Roglans
    University: Universitat de Girona
    Defense date: 2023, September
    Title: Mechanochemical synthetic approach to supramolecular assemblies: From metallic synthons to guest encapsulation in nanocapsules.
    Author: Eva Prat i Font
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2023, September
    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
    University: Universitat de Girona
    Defense date: 2023, September
    Title: Kinetic study of interfacial emulsion polymerization
    Author: Paula Margalef Borrell
    Director: Anna Pla-Quintana / Industry P&G
    University: Universitat de Girona
    Defense date: 2023, September
    Title: Development of Water-based 2K-PUR Clear coat for the Automotive Refinish
    Author: Daniela Panuta / Industry Roberlo
    Director: Albert Poater
    University: Universitat de Girona
    Defense date: 2023, September
    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
    University: Universitat de Girona
    Defense date: 2023, September

  • Title: Stability indicating study for Mepivacaine Hydrochloride
    Author: Marc Dalmau Ortiz
    Director: Anna Pla-Quintana / Industry Moehs
    University: Universitat de Girona
    Defense date: 2022, September
    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
    University: Universitat de Girona
    Defense date: 2022, September
    Title: Development of a new protocol towards the synthesis of nanographene-like compounds via aromatic homologation catalysis
    Author: Judith Sala Teixidor
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2022, September
    Title: Assessing the photocatalytic activity of Au(111) nanoplatelets on graphene
    Author: Sara Pibernat Cabañas
    Director: Lluís Blancafort
    University: Universitat de Girona
    Defense date: 2022, September
    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
    University: Universitat de Girona
    Defense date: 2022, September
    Title: Synthesis of functionalized fullerenes for their application in perovskite solar cells
    Author: Joan Vall-Llosera Soler
    Director: Anna Roglans
    University: Universitat de Girona
    Defense date: 2022, September
    Title: []
    Author: Sergi Arasil Torroella
    Director: Anna Pla-Quintana / Industry P&G
    University: Universitat de Girona
    Defense date: 2022, September
    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
    University: Universitat de Girona
    Defense date: 2022, September
    Title: Synthesis of iron(II) complexes and study of their catalytic activity in asymmetric carbene transfer reactions
    Author: David Capellán Busquets
    Director: Miquel Costas
    University: Universitat de Girona
    Defense date: 2022, September
    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
    University: Universitat de Girona
    Defense date: 2022, September
    Title: Computational study of nanographenes formation via Scholl reaction
    Author: Cristina Berga Domínguez
    Director: Sílvia Simon
    University: Universitat de Girona
    Defense date: 2022, September
    Title: []
    Author: Núria Dalemus Colls
    Director: Anna Pla-Quintana / Industry P&G
    University: Universitat de Girona
    Defense date: 2022, September
    Title: Mechanism of catalytic thioeterification from nickel complex with N-heterocyclic ligand
    Author: Maria Rosa Mollfulleda Palma
    Director: Marcel Swart
    University: Universitat de Girona
    Defense date: 2022, July
    Title: Optimization of hydrogenation and hydroformylation reaction
    Author: Zoubida Azfan
    Director: Anna Company / Industry Givaudan
    University: Universitat de Girona
    Defense date: 2022, July

  • Title: Expanding the regioselective functionalization of C60 fullerene using the supramolecular mask strategy
    Author: Tània Pèlachs
    Director: Xavi Ribas / Marc Garcia-Borràs
    University: Universitat de Girona
    Defense date: 2021, September
    Title: Exploring the intramolecular chemistry of iron(V)-oxo-carboxylato species
    Author: Andrea Michelle Álvarez
    Director: Anna Company
    University: Universitat de Girona
    Defense date: 2021, September
    Title: Synthesis of MQ silicone resins
    Author: Ferran Oliveras
    Director: Miquel Costas / industry Concentrol
    University: Universitat de Girona
    Defense date: 2021, September
    Title: Synthesis and reactivity of boron and nitrogen containing aromatic rings
    Author: Antoni Pagés
    Director: Pedro Salvador / Diego Andrada (Uni Saarlanden)
    University: Universitat de Girona
    Defense date: 2021, September
    Title: Molecular dynamics simulations for the encapsulation of fullerenes into supramolecular nanocapsules
    Author: Clara Sabrià
    Director: Ferran Feixas / Xavi Ribas
    University: Universitat de Girona
    Defense date: 2021, September
    Title: Real-space quantification of donor/acceptor properties of ligands in transition metal complexes
    Author: Pol Vehí
    Director: Pedro Salvador
    University: Universitat de Girona
    Defense date: 2021, September
    Title: Tuning RAHB strength with aromatic chameleon character of fulvenes
    Author: Núria Alsina Pla
    Director: Silvia Simón and Miquel Solà
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Modelling DHI dimer stability and optical absorption with neural networks
    Author: Daniel Bosch Coch
    Director: Lluís Blancafort
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Computational study of ambimodal reactions
    Author: Anna Díaz Carré
    Director: Josep M. Luís
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Modelling porphyrin electronic excitation by collisions
    Author: Judit Gálvez Benitez
    Director: Lluís Blancafort and Marco Bortoli
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Predictive Catalysis on Carbene Reactivity: From DFT to Experiments
    Author: Roger Monreal Corona
    Director: Albert Poater and Anna Pla
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Process optimization for Olopatadine Hydrochloride synthesis
    Author: Neus Pagès Vilà
    Director: Xavi Ribas and Mireia Rovira (Medichem)
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Development of UV curing products for the automotive refinish coatings market
    Author: Aina Ribas Massonis
    Director: Albert Poater and Magalí Cicujano (Roberlo)
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Bis-functionalization of C60 governed by tethers: a combined experimental and theoretical study
    Author: Nil Roig Vidal
    Director: Anna Roglans and Miquel Solà
    University: Universitat de Girona
    Defense date: 2021, July
    Title: Exploring new reactivity pathways of 1,5-bisallenes in Rh-catalyzed cyclizations
    Author: Roger Vinardell Pla
    Director: Anna Pla and Miquel Solà
    University: Universitat de Girona
    Defense date: 2021, July

  • Title: Development of a water-based paint technology platform
    Author: Andrea Fernández
    Director: Albert Poater and Raquel Ortuño (Concentrol)
    University: Universitat de Girona
    Defense date: 2020
    Title: Recovery of rhodium from hydroformylation residues
    Author: Yuhui Wang
    Director: Anna Company and Miriam Sau (Givaudan)
    University: Universitat de Girona
    Defense date: 2020
    Title: Computational Study of Site-Selective Ruthenium-Catalysed C-H Arylations with Weak-Directing Groups
    Author: Artur Brotons
    Director: Albert Poater
    University: Universitat de Girona
    Defense date: 2020
    Title: Formulation and assessment of alternative surfactant systems for dishwashing liquids
    Author: Adrián Álvarez
    Director: Pedro Salvador / industry P&G
    University: Universitat de Girona
    Defense date: 2020
    Title: Synthesis and characterization of chiral syn-dihydroxylation iron catalysts and their study through steric map
    Author: Najoua Choukairi
    Director: Miquel Costas / Wesley Browne
    University: Universitat de Girona
    Defense date: 2020
    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
    University: Universitat de Girona
    Defense date: 2020
    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
    University: Universitat de Girona
    Defense date: 2020
    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
    University: Universitat de Girona
    Defense date: 2020
    Title: Optimization of the Cinacalcet Hydrochloride Process
    Author: Jairo Montes
    Director: Xavi Ribas / industry Medichem
    University: Universitat de Girona
    Defense date: 2020
    Title: Encapsulation of diatomic pnictogen molecules by fullerenes: is it possible? A theoretical assessment
    Author: Enric Sabater
    Director: Miquel Costas / Wesley Browne
    University: Universitat de Girona
    Defense date: 2020
    Title: Insights into reaction mechanism of alcohols oxidation catalysed by Ru(IV)-oxo complexes
    Author: Anna Vidal
    Director: Albert Poater
    University: Universitat de Girona
    Defense date: 2020
    Title: Development of a range of UV-curing products
    Author: Albert Corvillo
    Director: Albert Poater and Magalí Cicujano (Roberlo)
    University: Universitat de Girona
    Defense date: 2020
    Title: Investigation of two type of natural BOLA surfactants
    Author: Gemma Font
    Director: Pedro Salvador / industry P&G
    University: Universitat de Girona
    Defense date: 2020

  • Title: Design and development of Earth-abundant metal catalysts towards C-H functionalization reactions
    Author: Merve Gözdnur Demirbek
    Director: Alicia Casitas
    University: Universitat de Girona
    Defense date: 2019
    Title: A leap towards the rational design of supramolecular host using MD simulations Techniques
    Author: Ricard López
    Director: Agustí Lledó and Ferran Feixas
    University: Universitat de Girona
    Defense date: 2019
    Title: Investigation of cleaning technology in detergency
    Author: Joel Nadal
    Director: Pedro Salvador/ industry P&G
    University: Universitat de Girona
    Defense date: 2019
    Title: Bond analysis in standard and cooperative hydrophenoxylation of alkynes catalysed by group 11 metals
    Author: Miguel Ramos
    Director: Albert Poater
    University: Universitat de Girona
    Defense date: 2019
    Title: Fatty acid derivatives: esterification of fatt alcohols and polyethers
    Author: Lorenzo Rico
    Director: Miquel Costas/ industry Concentrol
    University: Universitat de Girona
    Defense date: 2019
    Title: Rationalizing the shape of photocatalytically active gold nanoplatelets on graphene
    Author: Gerard Riesco
    Director: Lluís Blancafort
    University: Universitat de Girona
    Defense date: 2019
    Title: Tuning electronic effects in nickel complexes relevant in C-H activation
    Author: Charafa Souilah
    Director: Anna Company
    University: Universitat de Girona
    Defense date: 2019
    Title: Dehydrogenative Si-O coupling
    Author: Daniel Villá
    Director: Miquel Costas / industry Concentrol
    University: Universitat de Girona
    Defense date: 2019
    Title: Molecular dynamics of the encapsulation of fullerene derivatives in tetragonal prismatic nanocapsules
    Author: Yarkin Aybars
    Director: Xavi Ribas / Ferran Feixas
    University: Universitat de Girona
    Defense date: 2019
    Title: Interplay between oxidation states and Mössbauer paràmetres from first principles
    Author: Gerard Comas
    Director: Pedro Salvador
    University: Universitat de Girona
    Defense date: 2019
    Title: Reactivity of carbene-borane complexes. Towards the synthesis of multiple bonds compounds.
    Author: Sergi Danés
    Director: Pedro Salvador and Diego Andrada (U Saarland)
    University: Universitat de Girona
    Defense date: 2019

  • Title: Flow chemistry and thiolated polymers
    Author: Aleix Casademont
    Director: Xavi Ribas / industry Medichem
    University: Universitat de Girona
    Defense date: 2018
    Title: Synthesis of Fragrance Ingredients
    Author: Lluc Esbert
    Director: Anna Company / industry Givaudan
    University: Universitat de Girona
    Defense date: 2018
    Title: Conformational Ancestral Promiscuity
    Author: Guillem Casadevall
    Director: Sílvia Osuna and Ferran Feixas
    University: Universitat de Girona
    Defense date: 2018
    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
    University: Universitat de Girona
    Defense date: 2018
    Title: Unravelling allosteric pathways of imidazole glycerol phosphate synthase (IGPS)
    Author: Carla Calvó
    Director: Sílvia Osuna / Javier Iglesias-Fernández
    University: Universitat de Girona
    Defense date: 2018
    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
    University: Universitat de Girona
    Defense date: 2018
    Title: Origin-independent based decomposition of nonlinear optical properties
    Author: Marc Montilla
    Director: Pedro Salvador
    University: Universitat de Girona
    Defense date: 2018
    Title: Study of higher-order cycloadditions: are they more difficult to perform than the usual ones?
    Author: Otger Crehuet
    Director: Miquel Solà
    University: Universitat de Girona
    Defense date: 2018
    Title: Cyclization reactions of unsaturated compounds catalysed by metal carbenes
    Author: Àlex Díaz
    Director: Anna Pla
    University: Universitat de Girona
    Defense date: 2018

  • 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
    University: Universitat de Girona
    Defense date: 2017
    Title: Strategy for the covalent linking of amino acids to bioinspired oxidation catalysts.
    Author: Laia Vicens
    Director: Miquel Costas
    University: Universitat de Girona
    Defense date: 2017
    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
    University: Universitat de Girona
    Defense date: 2017
    Title: Electronic tuning of mononuclear high-valent nickel-oxygen species and nickel-catalyzed chlorination of C-H bonds
    Author: Carlos Garcia
    Director: Anna Company
    University: Universitat de Girona
    Defense date: 2017
    Title: Improvement of dehydration of secondary alcohol to obtain a fragance
    Author: Màrius Duñach
    Director: Anna Roglans and industry Givaudan
    University: Universitat de Girona
    Defense date: 2017
    Title: Optimització i millora de processos de fabricació d’un principi actiu farmacèutic
    Author: Adrià Fita
    Director: Xavi Ribas and industry Medichem
    University: Universitat de Girona
    Defense date: 2017
    Title: The role of the metal in the dual-metal catalyzed hydrophenoxylation of alkynes
    Author: Oscar González
    Director: Albert Poater
    University: Universitat de Girona
    Defense date: 2017
    Title: Photochemical and Photophysical characterization of Pyrrole-water cluster
    Author: Sílvia Escayola
    Director: Lluis Blancafort
    University: Universitat de Girona
    Defense date: 2017
    Title: Molecular Energy Decomposition Schemes for Density Functional Theory
    Author: Martí Gimferrer
    Director: Pedro Salvador
    University: Universitat de Girona
    Defense date: 2017
    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
    University: Universitat de Girona
    Defense date: 2017
    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
    University: Universitat de Girona
    Defense date: 2017
    Title: Tailoring resonance assisted hydrogen bonds
    Author: Gerard Pareras
    Director: Sílvia Simon and Miquel Solà
    University: Universitat de Girona
    Defense date: 2017

  • Title: Transference of a validation method for products J and L
    Author: Vanessa Vivet
    Director: Anna Pla-Quintana / Ester Serra (Zoetis)
    University: Universitat de Girona
    Defense date: 2016
    Title: Improved application of microsolvation to chemical problems
    Author: Moad El Mahdali
    Director: Pedro Salvador Sedano
    University: Universitat de Girona
    Defense date: 2016
    Title: Synthesis of Fragance Ingredients
    Author: Adrià Pachecho Aceña
    Director: Anna Roglans / Joaquim Mola (Givaudan)
    University: Universitat de Girona
    Defense date: 2016
    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)
    University: Universitat de Girona
    Defense date: 2016
    Title: Study of halide exchange and cross-coupling reactions using Ag-Catalyst in two-electron redox catalysis
    Author: Lorena Capdevila
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2016
    Title: Process Optimization of Dabigatran and clozapine intermediate
    Author: Irene Ferrer
    Director: Xavi Ribas and industry Medichem
    University: Universitat de Girona
    Defense date: 2016
    Title: Synthesis of metalloporphyrins and their application in supramolecular chemistry as nanoreceptors for fullerene encapsulation
    Author: Christian Curado
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2016
    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
    University: Universitat de Girona
    Defense date: 2016
    Title: Development of a biologically inspired non-heme iron catalyst with a sterically demanding ligand
    Author: Margarida Borrell
    Director: Miquel Costas
    University: Universitat de Girona
    Defense date: 2016
    Title: Carboxylates vs phosphonates in water oxidation catalysis
    Author: Jesus Antonio Luque
    Director: Albert Poater
    University: Universitat de Girona
    Defense date: 2016
    Title: Synthesis and characterization of a mononuclear cobalt-dioxygen species. Reactivity studies in oxidation reactions.
    Author: Carla Magallón
    Director: Anna Company
    University: Universitat de Girona
    Defense date: 2016
    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
    University: Universitat de Girona
    Defense date: 2016
    Title: Synthesis of a new supramolecular nanocapsule for fullerene encapsulation, purification, and functionalization
    Author: Alba Monferrer
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2016
    Title: Interplay of catalysis and dynamics in the scavenger decapping enzyme
    Author: Ferran Planas
    Director: Sílvia Osuna
    University: Universitat de Girona
    Defense date: 2016
    Title: Computational Exploration of Epoxide hydrolases enantiopreference towards substrate control
    Author: Eila Serrano
    Director: Sílvia Osuna and Marc Garcia-Borràs
    University: Universitat de Girona
    Defense date: 2016

  • Title: Selective separation of fullerenes and EMFs mediated by supramolecular nanocapsules
    Author: Fuertes Espinosa, Carles
    Director: Xavi Ribas
    University: 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
    University: 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
    University: Universitat de Girona
    Defense date: 2014, september
    Title: Au(I)/Au(III) Redox Cycles in Halide Exchange and Fluorination Catalysis
    Author: Serra Parareda, Jordi
    Director: Xavi Ribas
    University: Universitat de Girona
    Defense date: 2014, september
    Title: Unravelling the water oxidation mechanism of novel tacn-based ruthenium complexes
    Author: Casadevall Serrano, Carla
    Director: Julio Lloret-Fillol
    University: Universitat de Girona
    Defense date: 2014, september
    Title: Synthesis of iron complexes with aminocarbene ligands
    Author: Rodríguez Serrat, Mònica
    Director: Miquel Costas
    University: Universitat de Girona
    Defense date: 2014, september
    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
    University: Universitat de Girona
    Defense date: 2014
    Title: Mechanism of action of Salen-Manganese antioxidant complexes: The Catalase reaction to neutralize reactive oxygen species
    Author: Adrian Romero-Rivera
    Director: Marcel Swart
    University: Universitat de Girona
    Defense date: 2014
    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)
    University: Universitat de Girona
    Defense date: 2014

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

  • Title: Synthesis and Reactivity of Mn(IV) Complexes
    Author: Olaf Cussó
    Director: Miquel Costas and Xavi Ribas
    University: Universitat de Girona
    Defense date: 2012, july
    Title: O2 binding in a novel unsymmetric ligand
    Author: Joan Serrano
    Director: Anna Company and Miquel Costas
    University: Universitat de Girona
    Defense date: 2012, july
    Title: High-valent non heme iron species
    Author: Gerard Sabenya Vila
    Director: Julio Lloret / Miquel Costas
    University: 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
    University: Universitat de Girona
    Defense date: 2012
    Title: Theoretical study of water oxidation mechanism with iron catalysts
    Author: Ferran Acuña Parés
    Director: Josep M. Luis
    University: 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
    University: 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
    University: 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
    University: Universitat de Girona
    Defense date: 2011

  • 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
    University: 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
    University: Universitat de Girona
    Defense date: 2010, september
    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
    University: 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
    University: 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
    University: 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
    University: Universitat de Girona
    Defense date: 2009

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

  • Title: Study of the Diels-Alder reaction on endohedral fullerenes
    Author: Silvia Osuna Oliveras
    Director: Marcel Swart
    University: Universitat de Girona
    Defense date: 2007, june
    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
    University: Universitat de Girona
    Defense date: 2007, july
    Title: Analysis of electron delocalization in aromatic compounds
    Author: Ferran Feixas
    Director: Eduard Matito i Gras, Miquel Solà and Jordi Poater
    University: 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
    University: Universitat de Girona
    Defense date: 2006

  • Title: Síntesi i reactivitat de nous macrocicles nitrogenats poliinsaturats
    Author: Iván González Molina
    Director: Anna Roglans
    University: 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
    University: 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
    University: 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
    University: 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
    University: 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
    University: 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
    University: 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
    University: Universitat de Girona
    Defense date: 2002