Listar Artículos (Química Física) por título
Mostrando ítems 51-70 de 257
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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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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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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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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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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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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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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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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 ...
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Design of a Portable and Reliable Fluorimeter with High Sensitivity for Molecule Trace Analysis
(MDPI, 2023-07-12)There is a growing need for portable, highly sensitive measuring equipment to analyze samples in situ and in real time. ...
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Design of highly stabilized nanocomposite inks based on biodegradable polymer-matrix and gold nanoparticles for Inkjet Printing
(Nature Research, 2019)Nowadays there is a worldwide growing interest in the Inkjet Printing technology owing to its potentially high levels of ...
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Development of first-principles interaction model potentials. An application to the study of the bromide hydration
(American Institute of Physics (AIP), 2002)This work presents the development of first-principles bromide ion–water interaction potentials using the mobile charge ...
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DFT study on the enhancement of isobaric specific heat of GaN and InN nanosheets for use as nanofluids in solar energy plants.
(M, 2023-01-18)In this work, GaN and InN nanosheets with dodecylamine (DDA) as surfactant have been studied as nanofluids to be used in ...
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Didodecyldimethylammonium Bromide Role in Anchoring Gold Nanoparticles onto Liposome Surface for Triggering the Drug Release
(Springer, 2019-08-20)Liposomes with their capacity to anchor gold nanoparticles (AuNPs) onto their surface are used in the treatment of several ...
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Dinitrogen Activation Mediated by the (P2PPh)Fe Complex: Electronic Structure, Dimerization Mechanism, and Magnetic Coupling
(American Chemical Society, 2024)Herein, we report the estimation of the extent of dinitrogen activation by different charged and structural forms of ...
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Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy
(American Institute of Physics Publising LLC, 2002)We present a method that uses the one-particle density matrix to generate directly localized orbitals dedicated to ...
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DNA conformational changes induced by cationic gemini surfactants: the key to switching DNA compact structures into elongated forms
(Royal Society of Chemistry, 2015)The DNA conformational changes induced by different members of the N,N0-bis(dimethyldodecyl)-a-ualkanediammonium dibromide ...
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Educación inclusiva en la enseñanza superior: soñando al profesorado ideal
(Universidad de Sevilla. Grupo de Investigación Didáctica, 2015)Este artículo se centra en las recomendaciones que 44 estudiantes realizaron al profesorado para que los procesos de ...
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Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics Study
(American Chemical Society, 2018-02-22)Hydrolysis of the Bi(III) aqua ion under a range of solution conditions has been studied by means of ab initio molecular ...