Browsing Artículos (Química Física) by Title
Now showing items 74-93 of 257
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Article
Effects of nonstoichiometry in the melting process of Y2O3 from molecular dynamics simulations
(American Physical Society, 1999)Molecular dynamics simulations in the microcanonical ensemble of liquid yttrium oxide were performed at a temperature of ...
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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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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 ...
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Electrochemical STM study of the adsorption of adenine on Au(111) electrodes
(Elsevier, 2013)An electrochemical scanning tunneling microscopy (EC-STM) study of the adsorption of adenine on Au(111) electrodes was ...
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Electrolytic synthesis of chloroacetic acids in a filter-press reactor from polychloromethanes
(Elsevier, 2010)Electrochemical carboxylation of carbon tetrachloride and chloroform to synthesize chloroacetic acids in mild conditions ...
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Electromembrane Extraction Based on Biodegradable Materials: Biopolymers as Sustainable Alternatives to Plastics
(Elsevier, 2023)Green and environmentally friendly approaches are increasingly necessary when developing new analytical methodologies. ...
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Electronic Structure and Magnetic Interactions in the Radical Salt [BEDT-TTF]2[CuCl4]
(American Chemical Society, 2018)The magnetic behavior and electric properties of the hybrid radical salt [BEDT-TTF]2[CuCl4] have been revisited through ...
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Article
Electronic structure of Ca Cu2 O3: Spin ladder versus one-dimensional spin chain
(American Physical Society, 2005)Quantum chemical calculations on embedded cluster models have been performed to extract accurate estimates of the magnetic ...
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Electrostatic induced molecular tilting in self-assembled monolayers of n -octadecylamine on mica
(American Chemical Society, 2012)Self-assembled monolayers of n-octadecylamine on mica (ODA/mica SAMs) have been investigated by atomic force microscopy ...
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Electrostatics affects formation of Watson-Crick complex between DNA bases in monolayers of nucleolipids deposited at a gold electrode surface
(Elsevier, 2021)Chronocoulometry was applied to determine charge in a monolayer of nucleolipid (1,2-dipalmitoyl-sn‑glycero-3-(cytidine ...
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Empleo de fichas dirigidas para la mejora en el aprendizaje de las asignaturas Técnicas Instrumentales y Fisicoquímica
(Universidad de Sevilla, 2018)Las asignaturas del área de Química Física del Grado en Farmacia, entre las que se encuentran Técnicas Instrumentales (2º ...
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Empleo de metodologías activas de enseñanza para el aprendizaje de la Química
(2011)En esta experiencia se ha diseñado y aplicado un modelo docente basado en metodologías activas de enseñanza aplicado a la ...
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Enantioselective synthesis of 4-amino-3,4-dihydrocoumarins and their non-cyclic hydroxyester precursors: Biological evaluation for the treatment of glioblastoma multiforme
(Elsevier, 2022)The stereoselective addition of ethyl acetate enolate to the C═N bond of N-tert-butylsulfinylimines has been investigated ...
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Encased Gold Nanoparticle Synthesis as a Probe for Oleuropein Self-Assembled Structure Formation
(MDPI, 2020-12)Stable oleuropein-coated gold nanoparticles in aqueous media were synthesized for the first time. Oleuropein (OLE) ...
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Enzyme-like activity of cobalt-MOF nanosheets for hydrogen peroxide electrochemical sensing
(Elsevier, 2022-10)Metal-organic frameworks (MOFs) are receiving increased attention as new functional nanomaterials for the development of ...
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Evaluation of magnetic terms in Cu4O4 cubane-like systems from selected configuration interaction calculations: A case study of polynuclear transition-metal systems
(AIP Publishing, 2011-11)We present the evaluation of magnetic terms in a Cu4O4 cubane-like system from truncated CI calculations, as a case study ...
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EXAFS Debye-Waller factors issued from Car-Parrinello molecular dynamics: Application to the fit of oxaliplatin and derivatives
(American Institute of Physics (AIP), 2013)One of the main pitfalls in EXAFS fitting is correlation among parameters, which can lead to unreli- able fits. The use ...
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Exploring the potential as molecular quantum-dot cellular automata of a mixed-valence Ru2 complex deposited on Au(111) surface
(Royal Society of Chemistry, 2023-03-21)A key requirement for the implementation of molecular quantum dot cellular automata (mQCA) is the ordered attachment of ...
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Extending the polarizable continuum model to effective ab initio pair potentials in multicomponent solutions: A test on calcium-water and calcium-ammonia potentials
(American Institute of Physics, 2002)Development of ab initio effective pair potential using the polarizable continuum model was extended to multicomponent ...