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Tesis doctorals - Departament de Química Física i Inorgànica
Title Date
Ab-initio insight into the organic photochemical diversity: non-radiative decay in uracil and derivatives and intramolecular charge transfer mechanisms in the benzonitrile family2011-06-20
A computational approach to the mechanism of light-driven reactions in solution2017-03-13
Activation of B-interElement (E=S, Se) reagents towards selective C-S and C-Se bond formation2017-07-21
A First Principles Investigation of the Adsorption and Reactions of Polyfunctionalized Molecules on Oxides and Metals2015-01-08
A Journey Towards Efficient Molecular WOCs: From Mononuclear to Polynuclear Complexes2019-07-08
alpha,beta-difunctionalization of alpha,beta-unsaturated carbonyl compounds through borylation reaction2015-07-03
Analysis of the Different Kinetic Processes in Perovskite Solar Cells2019-11-21
Análisis de las contribuciones físicas al acoplamiento magnético en sistemas binucleares de CU (II)2002-11-14
Aplicación de la teoría del funcional de la densidad a la adsorción de moléculas sobre superficies y electrodos metálicos.2007-01-12
Aplicación del método DDCI al estudio de sistemas radicalarios y mecanismos de reacción.2006-07-05
Assembly and properties of polyoxometalates: a theoretical point of view2011-02-10
Asymmetric catalysis and molecular recognition using different platforms: homogeneous systems, functionalized polymers and magnetic nanoparticles2011-06-10
Beyond Jablonski diagrams in organic systems: ab initio studies of substituted benzene derivatives2011-11-09
Bistable molecular materials: triazole-based coordination chemistry of first row transition metals2019-12-18
Carbon dioxide as solvent and c1 building block in catalysis2011-04-11
Carbonylation reactions in supercritical carbon dioxide2007-12-17
Catalytic access to (poly)borylated compounds by coupling unsaturated substrates and diboron or methyldiboron reagents2018-02-23
Catalytic activation of diboron reagents towards their addition to alkenes: experimental and theoretical approach2012-12-17
Catalytic Ammonia Oxidation on Noble Metal Surfaces: A Theoretical Study2008-12-15
Catalytic asymmetric hydroboration reaction of alkenes. Recycling of a catalyst2004-06-29
Catalytic diboration reaction towards the organic functionalization2007-12-03
Catalytic Systems Adapted to Glycerol Medium. Applications in Selective Processes2017-01-27
Ce or Pr-doped type III KGd(PO3)4 crystalline materials. Growth and characterization as scintillators2019-10-24
Ce or Pr-doped type III KGd(PO3)4 crystalline materials. Growth and characterization as scintillators2019-10-24
Cobalt nanoparticles for Fischer-Tropsch Synthesis: from colloidal to well-defined supported nanocatalysts2014-12-19
Complementary synthesis of organoboranes to populate the chemical functionality to a given area of biomedical interest2019-12-18
Computacional studies on the mechanism of the pauson-khand reaction2010-11-19
Computational Chemistry for Homogeneous Redox Catalysis2017-09-20
Computational Mechanistic Studies in Gold(I) Catalysis and Design of New Chiral Ligands2020-06-12
Computational Mechanistic Studies on the Transition Metal Catalyzed Activation of Carbon Dioxide2017-11-20
Computational modelling of polyoxometalates adsorbed on metallic surfaces2013-10-07
Computational Modelling of Polyoxometalates: Progress on Accurate NMR Characterization and Reactivity2017-03-03
Computational studies of C-B bond formation reactions2019-11-08
Computational studies on host-guest catalysis2014-07-09
Computational studies on organocatalysis2013-12-05
Computational studies on supramolecular hydrogen-bonded structures: from nanocapsules to proteins2008-07-17
Computational study of c-h bond cleavage and c-c bond formation processes catalyzed by transition metal complexes2012-03-09
Computations on Endohedral Metallofullerenes: Characterization, Properties and Growth2015-01-23
Computations on Fullerenes: Characterization, Reactivity and Growth2017-11-24
Computations on fullerenes: finding rules, identifying products and disclosing reactions paths2014-06-27
Continuous hydrogenation of carbon dioxide to formates and formic acid over heterogeneous catalysts2019-07-11
Continuous photocatalytic fuel production over wide-bandgap metal oxides2014-07-23
Continuous-wave and passively Q-switched solid-state microchip lasers in the near-infrared2017-11-09
Crecimiento y caracterización de capas epitaxiales de KRE 1-X 4BX(WO4)2 /KRE (WO4)2 (RE=Y,LU) para aplicaciones láser2007-12-20
Crystal Growth and Characterization of ytterbium or neodymium doped type III-KGd(PO3)4. A new bifunctional nonlinear and laser crystal2006-12-19
Crystal growth, optical characterisation and laser operation of yb3+ in monoclinic double tungstates2004-07-21
Deposition of metal nanoparticles on magnetic nanobeads and evaluation of their catalytic activity2016-06-27
Deposition of metal nanoparticles on magnetic nanobeads and evaluation of their catalytic activity2016-06-27
Design and screening of biaryl phosphite-based ligand libraries for asymmetric reduction and c-c and c-x bond forming reactions2012-10-05
Design of tailor-made chiral ligand libraries for C-X bond forming reactions. Study of the key intermediates by NMR and DFT2016-07-29
Design of tailor-made chiral ligand libraries for C-X bond forming reactions. Study of the key intermediates by NMR and DFT2016-07-29
Determinación AB initio de parámetros de estructura electrónica en óxidos de metales de transición2005-01-19
Development and characterization of waveguide lasers on monoclinic potassium double tungstates2011-04-01
Development of new materials and techniques for luminescence nanothermometry and photothermal conversion2016-05-13
DFT Studies on Polyoxopalladates and Polyoxometalate-surface Composites: From Structure to Catalysis2017-07-28
Dft Study of Titanium Cubane and Molybdenum Sulphide Compounds.2004-07-08
Diseño de catalizadores para una obtención limpia de 2-feniletanol2007-07-12
Earth Abundant Materials for Electrocatalytic Water Oxidation: Enhancing Efficiency and Robust Performance in Acidic, Neutral and Alkaline Media2017-10-26
Electrochemical oxidation of water and formate promoted by prussian blue analogues for electricity storage and generation2019-06-28
Electronic Effects Governing the Redox Properties of Polyoxometalates2014-09-26
Electronic structure calculations on extended metal atom chains. Insights on structural, magnetic and transport properties2017-01-10
Elucidating deactivation and reaction paths of photosensitive organic systems through computational methods2016-06-28
Estudi de l'acoblament magnètic en complexos heterometàl·lics amb lligands pont oxamido, oxamato, tiooxalato i anàlegs2010-05-19
Estudio AB initio de mecanismos de reacción en sistemas moleculares fotosensibles2005-07-15
Estudio de sistemas níquel-magnesia. Aplicación a la hidrogenación de dinitrilos2002-10-04
Estudio teórico de la adsorción y reactividad de especies nitrogenadas sobre superficies metálicas2005-01-14
Estudio teórico de la interacción entre oxígeno molecular y complejos biomiméticos de metales de transición2013-04-30
Estudi teòric de propietats espectroscòpiques i electroquímiques de polixometalats amb metalls de transició dels grups 6-92009-04-22
Exploiting high pressure advantages in catalytic hydrogenation of carbon dioxide to methanol2014-03-27
Exploiting Organocatalysis in Photochemical Processes2019-10-17
Fabrication and characterization of waveguide lasers operating in the infrared spectral range2019-07-09
Fabrication and characterization of waveguides on rbtiopo4 crystals for photonic applications2013-06-20
First-principles mechanistic studies of ammonia-related industrial processes2011-01-14
Fitting the catalysts for effective enantioselective C-X bond forming reactions. Theoretically guided ligand design and mechanistic investigations2018-10-23
From mononuclear to dinuclear: magnetic properties of transition metal complexes2016-05-13
Giant polyoxometalates : dynamic structure and reactivity2010-06-03
Growth and characterisation of RbTiOPO4. A new self-frequency doubling crystal.2003-07-11
Heterogenized n-heterocyclic carbene metal complexes for selective catalysis2016-06-22
Hexaaluiminate-type catalysts for n2o abatement2010-10-15
Hidroformilación e hidrogenación selectiva de sustratos orgánicos con catalizadores de Rh E Ir. estudios de reactividad e influencia del ligando P(O-o-tBuPh)3.1995-03-30
High nuclearity polyoxometalates as water oxidation catalysts: from experiments to theory2016-03-31
Hydrocalumite-based catalysts for glycerol revalorization2015-07-27
Improvement of the properties of zeolites for application in the nitrogen and oxygen separation process and in acid catalysis2005-10-14
Improvements in Liquid Chromatography coupled to Mass Spectrometry methods for the determination of legislated and emerging marine toxins in the Northwest Mediterranean coast2015-04-27
Infrared lasers based on ho3+:kre(wo4)2 crystals with tm3+or yb3+ as sensitizers2011-05-18
Insights into the co-catalyst effects in light driven reactions for water splitting and carbon dioxide reduction2018-10-25
Interlocked architectures based on a bis-calix[4]pyrrole macrocycle for ion-pair recognition2017-03-24
Late Transition Metal Catalyzed Chelation-Assisted C-H Alkynylation Reactions2019-12-03
Layered double hydroxides for applications in catalysis and electroluminescent devices.2015-01-09
Lewis acidic zn(ii) schiff base complexes in homogeneous catalysis2013-04-04
Ligand design for palladium and iridium selective catalysts2011-05-13
Low-Molecular Weight Semiconductors for Organic and Perovskite Solar Cells2019-06-21
Magnetic nanoparticles as a versatile platform for catalytic applications2016-10-25
Materials and molecules for pollution free clean energy2018-10-15
Mechanistic Studies of Water Oxidation Catalyzed by Homogeneous Iron and Ruthenium Complexes and Light-driven Organic Reductions with a Dual Cobalt/Copper Catalytic System2019-07-22
Microscopic modeling of the self assembly of surfactants: shape transitions and critical micelle concentrations2011-04-15
Microstructuration of nonlinear optical materials: methodologies, characterization, and applications2012-10-23
Mid-infrared integrated photonic sensors of water and ice films for harsh environments2017-04-21
Modelatge computacional de la catàlisi homogènia: carbonilació i hidroboració.2004-11-24
Modeling of homogeneous catalysis: from dft to qspr approaches2012-03-20
Modelling au catalyst from bulk to nanoscale2010-09-27
Modelling unsaturated hydrocarbons on metals: towards understanding catalytic processes2005-09-26
Molecular containers based on aryl-extended calix[4]Pyrroles2019-10-31
Molecular phocatodes and photoanodes for light driven water splitting2019-07-10
Molecular Water Oxidation Catalysts Based on Copper and Nickel Complexes2018-11-02
Molybdenum Oxides as Catalyst for Biomass-derived Compounds: a Theoretical Approach2018-03-22
Mono- and dinuclear ruthenium complexes: synthesis, characterization and their impact in oxidation reactions2011-05-02
Monoclinic tm:klu(w04)2: a new crystal for efficient diode-pumped continuous-wave and q-switched lasers2012-04-27
Mononuclear and Heterotrinuclear Ruthenium Complexes: Synthesis and Water Oxidation Activity2015-07-29
Nanoporous GaN by Chemical Vapor Deposition: crystal growth, characterization and applications2014-07-09
New approaches for the desing of chiral catalysts. Application in carbonylation reactions.2007-11-16
New chiral ligands in asymmetric catalysis. Application in stabilization of metal nanoparticles2006-01-27
New Methodology for C-N Bond Formation within Iodine Redox Manifolds2019-11-22
New Perspectives in Aromatic Aminations Using Hypervalent Iodine(III) Reagents2017-07-20
New perspectives in nanocatalysis using design of experiments2018-11-30
New Photonic devices based on NLO(non-linear optical) crystalline waveguides2015-03-20
New ruthenium, manganese and cobalt dinuclear complexes as redox catalysts. Unfolding the essential steps for the generation of solar fuels2012-10-16
New Strategies for Enantioselective Catalysis of Photochemical Reactions2017-10-23
NHC-stabilized Rh Nanoparticles as efficient catalysts for the hydrogenation of aromatics and selective H/D exchange in P-based ligands2017-07-14
Ni-catalyzed fixation of heterocumulenes into organic matter and c-h functionalization reactions2015-11-18
Nitrogen-based ligands for iron, zinc and cobalt catalyzed selective processes2015-11-06
Non-innocent ligands: from proton shuttle to photo-activation2019-10-21
Norbornene functionalization through asymmetric pd- and rh-catalyzed carbonylation processes2010-07-29
Novel Catalytic Materials and Strategies for Hydrogen Production and Hydrogenation Reactions based on PEM Electrolysis2014-12-17
Novel Enantioselective Aminocatalytic Processes by means of Vinylogous Reactivity and Photoredox Catalysis2015-12-15
Novel molecular and colloidal catalysts for c-c bond formation processes2011-12-16
Nucleophilic versus electrophilic boryl moieties: activation and application in catalysis2013-12-20
Nuevos catalizadores para las reacciones de carbonilación e hidrogenación de alquenos en sistemas homogéneos y bifásicos.2002-12-16
Numerical simulations of the DCMIX microgravity thermodiffusion experiments to assess the impact of typical International Space Station reboosting manoeuvres2019-05-14
Obtenció i caracterització de cristalls monoclínics de KGd(WO4)2 substituïts amb lantànids2001-01-25
Obtention des polycarbonates et carbonates à partir des alcènes.2014-09-22
Optical detection and structural analysis of DNA via direct surface-enhanced Raman scattering2018-04-12
Optical methods and nano/microsystems for cancer diagnosis and therapy2018-04-13
Optofluidic device for cytometric measurements and study of inertial focusing conditions in asymmetric serpentines2019-02-01
Organic and hybrid optoelectronic devices: understanding key loss mechanisms.2013-06-06
Organic Molecules On Metal Surfaces: Forecasting Structures And Spectra2008-06-06
Organometallic compounds and metal nanoparticles as catalysts in low environmental impact solvents2011-01-17
Palladium complexes containing diphosphine and sulfonated phosphine ligands for c-c bond forming reactions. catalytic and mechanistic studies2007-06-18
Palladium complexes for Co/Styrene copolymerization. Study of the influence of the ligand2002-12-20
Photochemical Strategies for Carbon–Carbon Bond Forming Processes2018-10-29
Propiedades electrónicas y magnéticas en Polioxometalatos de Lindqvist y de Keggin.2003-10-06
Pyrene-tagged Ligands as a Bridge between Homogeneous and Heterogeneous Catalysis2019-12-19
Qm and qm/mm studies on organic and bioinorganic systems2008-10-16
Revalorización catalítica de glicerina para una obtención más respetuosa con el medio ambiente de aditivos para combustibles2011-10-14
Rh-catalyzed carbonylation of disubstituted olefins: asymmetric catalysis, continuous flow and tandem hydroaminomethylation reaction2018-12-21
Rhodium nanoparticles stabilised by phosphorus based ligands. Synthesis, characterisation and application in selective hydrogenations2014-07-04
Ruthenium polypyridyl complexes relevant to the catalytic processes in artificial photosynthesis2011-05-03
Screening of modular and readily available ligand libraries for C-X (X=H, C, N and O) bond forming reactions. The use of DFT studies for catalysts optimization2016-06-27
Screening of Modular Carbohydrate Ligand Libraries in Asymmetric Metal-catalyzed C-C and C-X Bond Formation Reactions2007-07-20
Screening of modular phosphoroamidite, siphosphoroamidite and phosphoroamidite ligand libraries in asymmetric metal-catalyzed reactions2009-11-24
Screening of modular sugar derived phosphite-based ligand libraries for m-catalyzed reactions. A green approach to catalysts discovery2013-12-13
Second-Row Transition-Metal Complexes Relevant to CO22014-06-03
Selectivity control in pd-catalyzed c-h functionalization reactions2013-04-16
Simulació de l'entorn en l'estudi teòric de processos de quimisorció sobre metalls amb models finits.1996-12-17
Spin-Crossover beyond the traditional Fe(II) complexes: ab initio study of spin-state stability in complexes with Mn, Ni and Ru2016-09-30
Spin-Crossover beyond the traditional Fe(II) complexes: ab initio study of spin-state stability in complexes with Mn, Ni and Ru2016-09-30
Stereoselective Synthesis of Sulfones and Amino Acids from Functionalized Heterocycles2019-09-12
Sugar-based ligand libraries for asymmetric reductions and c-c bond forming reactions2011-11-20
Supramolecular Catalysis: Halogen Bonding and Regulation Strategies Applied to Hydroboration and C-H Functionalization Reactions2019-07-17
Supramolecular, photophysical and catalytic properties of zn(salphen) based complexes and materials2013-07-12
Sustainable and cost-effective development of chiral metal-catalysts for C-H and C-X bond forming reactions2018-09-10
Switchable and tunable ligands for homogeneous catalysis2010-09-16
Synthesis and characterization of down-shifting ln3+ doped lanthanum-based nanoparticles for photovoltaic applications2013-01-11
Synthesis and characterization of optical nanocrystals and nanostructures. An approach to transparent laser nanoceramics2010-02-16
Synthesis of Acid Mesoporous Saponites and its Application in Catalytic Glycidol Hydrogenolysis2015-11-06
Synthesis of amino alcohols through one-popt catalytic boron addition sequences2013-07-26
Synthesis of chiral furanoside diphosphinite and thioether-phosphinite compounds derived from d-(+)-xylose. Application as ligands in asymmetric catalytic processes2005-10-05
Synthesis of dinuclear complexes. From ligand design to catalysis2013-07-25
Synthesis of hectorites and saponites with microwaves and their application in catalysis and composites2011-02-25
Synthesis of phthalides and benzolactones via catalytic C-H functionalization/C-O bond-forming2014-06-12
The activation of diboron reagents and their application in catalytic boron additions to alkenes2012-03-02
The calculation of the thermal dependency of the magnetic susceptibility in extended systems with ab initio electronic structure parameters2011-02-18
The Hydroformylation Reaction: from Covalent to Supramolecular Approaches and Operando Kinetic Studies2020-07-13
Theoretical and experimental understanding of the pull-push effect of B on the synthesis of organo-boranes, -sulfides and -selenides2015-10-28
Theoretical and experimental understanding of the pull-push effect on the synthesis of organoboranes, sulfides and selenides2015-10-28
Theoretical characterisation of metallofullerenes2005-02-21
Theoretical description of electronic excitations in extended systems: beyond the static material model2011-11-11
Theoretical investigations into single-atom catalysts on ceriumdioxide: deposition and activation2019-10-17
Theoretical Studies of Chemical Processes for Biomass Conversion on Metal Catalysts2017-09-18
Theoretical Studies of Heterogeneous Catalysis for Halogen Chemistry2017-11-13
Theoretical studies of selective processes in heterogeneous catalysis2010-04-30
Theoretical studies on molecular adsorption and selective hydrogenation catalysts2013-11-12
Theoretical studies on transition metal catalyzed carbon dioxide fixation2014-10-09
Theoretical study of magnetic and conducting properties of transition metal nanowires2011-11-13
Theoretical Study of the Basicity and the Redox Properties of Heteropolyanions2003-10-03
The Role of Copper in Homogeneous Catalysis: Single Electron Transfer and Beyond2019-12-18
Towards green chemistry: alternative solvents for catalysed carbonylation reactions2005-11-11
Towards green synthesis of organic carbonates: Utilization of CO2 as a chemical feedstock2015-10-09
Transition metal carbides as active phase and as support in catalysis: Insights from first principles theoretical modelling2014-10-10
Transition metal catalysed functionalisation of c=c through boron chemistry: a tandem approach2009-06-23
Tunable chiral ligands for Ir and Rh hydrogenation processes. Synthesis of enantioamerically enriched amines.2003-11-28
Utilización de microondas y ultasonidos en la preparación de hectoritas mesoporosas para su aplicación como soportes de catalizadores de cobre en la reacción catalítica de hidrogenólisis de glicerol a 1,2-propanodiol.2011-11-18
Water oxidation with mononuclear ru complexes. Below the tip of the iceberg: the oxo-bridge scenario2013-10-16
Ytterbium and erbium dopep rbti1-xmxopo4 (m=nb or ta) crystals. new laser and nonlinear bifunctional materials2007-07-23
195 results.


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