Browsing Artículos (Química Física) by Funding agency "Junta de Andalucía"
Now showing items 1-20 of 72
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Article
A coupled EXAFS-molecular dynamics study on PuO
(American Chemical Society, 2022)The physicochemical properties of the monovalent actinyl cations, PuO2+and NpO2+, in water have been studied by means of ...
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Article
A general study of actinyl hydration by molecular dynamics simulations using ab initio force fields
(AIP Publishing, 2019-03)A set of new ab initio force fields for aqueous [AnO2] 2+/+ (An = Np(VI,V), Pu(VI), Am(VI)) has been developed using the ...
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Article
A hydrated ion model of [UO2]2+ in water: Structure, dynamics, and spectroscopy from classical molecular dynamics
(AIP Publishing, 2016-12)A new ab initio interaction potential based on the hydrated ion concept has been developed to obtain the structure, ...
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Article
A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx/TiO2(110) catalysts
(AIP Publishing, 2010-03)The structural and electronic properties of CeOx species supported on the rutile TiO2 110 surface have been examined by ...
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Article
Ab initio group model potentials including electron correlation effects
(AIP Publishing, 2000-10)A method for determination of ab initio group model potentials, with the intention of describing the effects of a whole ...
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Article
Adsorption and activation of CO2 on Pt/CeOx/TiO2(110): Role of the Pt-CeOx interface
(Elsevier, 2021)The adsorption and dissociation of CO2 on TiO2(110), CeOx/TiO2(110) and Pt/CeOx/TiO2(110) surfaces has been examined using ...
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Article
Au@16-pH-16/miR-21 mimic nanosystem: An efficient treatment for obesity through browning and thermogenesis induction
(Elsevier, 2024-02)Despite the abundance of registered clinical trials worldwide, the availability of effective drugs for obesity treatment ...
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Article
Bimetallic Intersection in PdFe@FeOx-C Nanomaterial for Enhanced Water Splitting Electrocatalysis
(Wiley-Blackwell, 2022)Supported Fe-doped Pd-nanoparticles (NPs) are prepared via soft transformation of a PdFe-metal oraganic framework (MOF). ...
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Article
Binding of DNA by a dinitro-diester calix[4]arene: Denaturation and condensation of DNA
(Elsevier, 2015)A study of a dinitro-diester calix[4]arene (5,17-(3-nitrobenzylideneamino)-11,23-di-tert-butyl-25,27-diethoxycarbonyl ...
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Article
Chitosan biofilms: Insights for the selective electromembrane extraction of fluoroquinolones from biological samples
(Elsevier, 2021-09-22)A selective electromembrane extraction procedure for the extraction of Enrofloxacin, Marbofloxacin and Flumequine, usually ...
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Article
Citrate and Polyvinylpyrrolidone Stabilized Silver Nanoparticles as Selective Colorimetric Sensor for Aluminum (III) Ions in Real Water Samples
(MDPI, 2020)The use of silver nanoparticles stabilized with citrate and polyvinylpyrrolidone as a sensor for aluminum ions determination ...
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Article
Controlled formation of CoOOH/Co(III)-MOF active phase for boosting electrocatalytic alkaline water oxidation
(Elsevier, 2025)Surface reconstituted metal-organic frameworks (MOFs) offer appealing properties for electrocatalysis due to their unique ...
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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
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
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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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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Article
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 ...
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Article
Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells
(Royal Society of Chemistry, 2017)Because of the different components that constitute a quantum dots solar cells, QDSCs, and the difficulty of experimentally ...
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Article
Electric-Field-Driven Molecular Recognition Reactions of Guanine with 1,2-Dipalmitoyl- sn- glycero-3-cytidine Monolayers Deposited on Gold Electrodes
(American Chemical Society, 2019-06-21)Monolayers of 1,2-dipalmitoyl-sn-glycero-3-cytidine were incubated with guanine in a 0.1 M NaF electrolyte at the surface ...
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Article
Electrochemical characterization of a mixed lipid monolayer supported on Au(111) electrodes with implications for doxorubicin delivery
(Elsevier, 2018-04-15)The cationic lipid didodecyldimethylammonium bromide (DDAB) is one of the agent that is included in formulations for ...