Student theses
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Estudi teòric de l’activació de N2 per complexes de Molibdé
Roldan Visitación, M. (Author), Ujaque Perez, G. (Director), 8 Sept 2022Student thesis: Final degree project (TFG)
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Scope of Computational Organometallic Chemsitry: Structure, Reactivity and Properties
Ortuño Maqueda, M. A. (Author), Lledos Falco, A. (Director) & Ujaque Perez, G. (Director), 29 Nov 2014Student thesis: Doctoral thesis
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Diseños guiados por computación de péptidos catalíticos de novo, Doctoral in Chemistry, ongoing, FI-DGUR
Martinez Castro, L. (Author), Marechal , J. (Director), 2023Student thesis: Doctoral thesis
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BRINGING CHEMICAL SPACE EXPLORATIONS IN THE GAUDIMMFRAMEWORK
Sánchez Aparecio, J. A. (Author), Marechal , J. D. (Director), 2017Student thesis: Dissertation (TFM)
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NOVEL STRATEGIES FOR THE PREDICTIONOF PROTEIN-LIGAND INTERACTIONS IN THE GAUDIMMFRAMEWORK
Orenes Chueca, P. (Author), Marechal , J. (Director), 2017Student thesis: Dissertation (TFM)
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AulePredictor: Application of Deep Learning for Protein-Metal Binding Site Prediction
Fernandez Diaz, R. (Author), Marechal , J. (Director), 2021Student thesis: Dissertation (TFM)
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Binding energies of N-bearing astrochemically-relevant molecules on water intertellar ice models. A consistent computational study
Martinez i Bachs, B. (Author), Rimola Gibert, A. (Director), Jul 2020Student thesis: Dissertation (TFM)
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Nanocapsules for accelerating chemical reactions
Vilella Barco, D. (Author), Zapirain Gysling, I. (Director) & Ujaque Perez, G. (Director), 8 Sept 2022Student thesis: Final degree project (TFG)
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IN SILICOMODELLING OF THE CATALYTIC MECHANISM OF AN ARTIFICIALMETALLOENZYME
Alonso Cotchico, L. (Author), Marechal , J. (Director), 2014Student thesis: Dissertation (TFM)
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Development of metal compatible docking approaches in the GaudiMM computational platform
Davó Miralles, F. (Author), Marechal , J. (Director), Jun 2020Student thesis: Final degree project (TFG)
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SURFACE CHEMISTRY OF MOLECULES OF ASTROPHYSICAL INTEREST: THEORY AND SIMULATIONS
Enrique Romero, J. (Author), Maria Cecilia, C. (Director) & Rimola Gibert, A. (Director), 18 Oct 2021Student thesis: Doctoral thesis
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Catálisis Molecular a la Supra-Bio-Catálisis, un enfoque computacional
Zapirain Gysling, I. (Author), Marechal , J. (Director), 2023Student thesis: Doctoral thesis
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Prediction of protein-ligand interactions by computational means
Abdel-Azeim, S. (Author), Marechal , J. (Co-director), 2023Student thesis: Doctoral thesis
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Computational studies on the interaction of aminoacids and peptides with TiO2 surfaces: Adsorption and reactivity.
Pantaleone, S. (Author), Sodupe Roure, M. (Director) & Rimola Gibert, A. (Director), 14 Nov 2019Student thesis: Doctoral thesis
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Frontiers in Molecular Modeling of Metal-Mediated Catalytic and Recognition Processes
Alemany Chevarria, M. (Author), Marechal , J. (Director), 2023Student thesis: Doctoral thesis
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Development and Applications of a novel computational plateform for complex molecular design
Rodriguez-Guerra Pedregal, J. (Author), Marechal , J. (Director), 20 Sept 2018Student thesis: Doctoral thesis
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Estudio de las interacciones de metalo-fármacos con sus dianas proteicas
Sciortino , G. (Author), Marechal , J. (Co-director), 5 Dec 2019Student thesis: Doctoral thesis
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Computational Design of Chemobiological Hybrids for Biocatalytic Platforms
Alonso Cotchico, L. (Author), Marechal , J. (Co-director), 27 Jul 2018Student thesis: Doctoral thesis
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Theoretical Study of surface properties of Crystalline and Amorphous Silica Polymorphs
Musso, F. (Author), Sodupe Roure, M. (Director) & Piero, U. (Director), 26 Sept 2011Student thesis: Doctoral thesis
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Study of polyurethane reactive hot melt adhesives based on polyester
Homs Esquius, J. (Author), Testar, G. (Director) & Ujaque Perez, G. (Director), 29 Jul 2016Student thesis: Dissertation (TFM)
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Theoretical study of the mechanism of hydration of unsaturated bonds catalysed by [Au(NHC)]
Muñoz Lopez, S. (Author), Ujaque Perez, G. (Director), 19 Jun 2017Student thesis: Dissertation (TFM)
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Theoretical Study on Pd-catalyzed Cross-Coupling Reactions
Garcia Melchor, M. (Author), Lledos Falco, A. (Director) & Ujaque Perez, G. (Director), 13 Apr 2012Student thesis: Doctoral thesis
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Estudio Mecanístico de Reacciones de Aminación y de Hidroaminación
Gomez-Orellana Seguin, P. (Author), Lledos Falco, A. (Director) & Ujaque Perez, G. (Director), 13 May 2019Student thesis: Doctoral thesis
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Estudi Teòric de Reaccions Catalitzades per Complexos d’Or: Cicloaddicions amb Al·lens i Oxidació d’Alquins
Montserrat Gironès, S. (Author), Lledos Falco, A. (Director) & Ujaque Perez, G. (Director), 1 Mar 2013Student thesis: Doctoral thesis
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Desenvolupament d'un visualitzador molecular i estudi de la interacció magnètica
Teixe Molins, D. (Author), Marechal , J. (Director), Jun 2017Student thesis: Final degree project (TFG)