Listar Química Física por título
Mostrando ítems 56-75 de 358
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Artículo
Colorimetric, naked-eye detection of lysozyme in human urine with gold nanoparticles
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)The stabilizing effect of lysozymes to salt addition over a gold colloid are exploited in order to detect lysozymes in ...
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Combination of XANES spectroscopy and molecular dynamics to probe the local structure in disordered systems
(American Physical Society, 2001)Individual configurations obtained from molecular dynamics have been combined with the computation of x-ray absorption ...
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Artículo
Combining EXAFS and computer simulations to refine the structural description of actinyls in water
(Multidisciplinary Digital Publishing Institute (MDPI), 2020)EXAFS spectroscopy is one of the most used techniques to solve the structure of actinoid solutions. In this work a systematic ...
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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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Tesis Doctoral
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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Artículo
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 ...
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Tesis Doctoral
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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Artículo
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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Tesis Doctoral
Contribución a la metódica del análisis de sustancias grasas
(1969-05-24) - Tesis Doctoral
- Tesis Doctoral
- Tesis Doctoral
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Artículo
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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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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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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Ponencia
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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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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Artículo
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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Artículo
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 ...