Browsing Química Física by Title
Now showing items 59-78 of 358
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Article
Communication: Improving the density functional theoryU description of CeO 2 by including the contribution of the O 2p electrons
(American Institute of Physics Publising LLC, 2012)Density functional theory (DFT) based approaches within the local-density approximation or generalized gradient approximation ...
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PhD Thesis
Comportamiento interfacial de la adenina sobre electrodos metálicos: condensación sobre mercurio y adsorción sobre superficies monocristalinas de oro de bajos índices de miller
(2005-06)Se han estudiado los aspectos cinéticos de las transiciones de fase que experimentan la adenina al formar fases condensadas ...
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Article
Comprehensive Experimental and Theoretical Study of the CO + NO Reaction Catalyzed by Au/Ni Nanoparticles
(American Chemical Society, 2019)The catalytic and structural properties of five different nanoparticle catalysts with varying Au/Ni composition were studied ...
- PhD Thesis
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PhD Thesis
Computational chemistry of actinoids in solution and confinedMedia
(2019-09-27)The nuclear power industry accounts for around 10% of the electricity production worldwide and up to 70% in some countries.1 ...
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Article
Computational demonstration of isomer- and spin-state-dependent charge transport in molecular junctions composed of charge-neutral iron(II) spin-crossover complexes
(Royal Society of Chemistry, 2023-02)Chemistry offers a multitude of opportunities towards harnessing functional molecular materials with application propensity. ...
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PhD Thesis
Contribución a la metódica del análisis de sustancias grasas
(1969-05-24) - PhD Thesis
- PhD Thesis
- PhD Thesis
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Article
Copper-nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations
(Royal Society of Chemistry, 2019)The molecular magnets Cu(hfac)2LR based on copper(II) and pyrazolyl-substituted nitronyl nitroxide radicals LR exhibit ...
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Article
Coulometer from a Digitally Controlled Galvanostat with Photometric Endpoint Detection
(Multidisciplinary Digital Publishing Institute (MDPI), 2022)In this work, a coulometer was developed from a digitally controlled galvanostat. A simple colorimeter based on a RGB LED ...
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Article
Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the Cr3+ hydration
(American Institute of Physics (AIP), 2000)A strategy to build interaction potentials for describing ionic hydration of highly charged monoatomic cations by computer ...
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Presentation
Coupling MD simulations and X-ray absorption spectroscopy to study ions in solution
(American Institute of Physics, 2007)The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among ...
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Article
Critical Role of Oxygen in Silver-Catalyzed Glaser-Hay Coupling on Ag(100) under Vacuum and in Solution on Ag Particles
(American Chemical Society, 2017)The essential role of oxygen in enabling heterogeneously catalyzed Glaser-Hay coupling of phenylacetylene on Ag(100) was ...
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Article
Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal-Oxide Interface and the Mechanism of the WGS Reaction
(American Chemical Society, 2016)Experimental techniques and DFT calculations have been combined to study and compare the effect of the metal-substrate ...
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Article
Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle
(Springer Nature, 2023)Skeletal muscle is more resilient to ischemia-reperfusion injury than other organs. Tissue specific post-translational ...
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Article
D-amino acid peptides as antimicrobial agents against vibrio-associated diseases in aquaculture
(Elsevier, 2023)Vibriosis is one of the most usual infection diseases in bivalve mollusks, particularly affecting seeds and larvae, which ...
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Article
Decorating a single giant DNA with gold nanoparticles
(Royal Society of Chemistry, 2018)We decorated a single giant DNA (1.66 × 105 base pairs) with gold nanoparticles through the simple procedure of mild ...
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Article
Desarrollo de líneas experimentales para su aplicación en los Trabajos de Fin de Grado en Química
(Universitat de València: Centre de Formació i Qualitat "Manuel Sanchis Guarner", 2012)Desde el punto de vista académico, los Trabajos Fin de Grado en Ciencias Químicas se presentan como proyectos experimentales ...