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Journal of Physical Chemistry B(2)
Journal of Physical Chemistry C(2)
Annals of the New York Academy of Sciences(1)
Chemical Physics Letters(1)
Dalton Transactions(1)
A Simple Theoretical Model to Study the Voltage Dependence of the Electronic Structure of Phenyl Ethylene Oligomers
Conference ObjectAbstract: Although very few measurements have appeared in the open literature and there seems to be a controvePalabras claves:Charge rearrangement, DFT, molecular electronics, Negative differential resistanceAutores:Gonzalez C.A., Marquez M., Mujica V., Simon-Manso Y., Yosslen R. ArayFuentes:scopusA perturbatively corrected tight-binding method with hybridization: Application to gold nanoparticles
ArticleAbstract: We introduce a non-self-consistent energy correction that is based on the fluctuation of the densityPalabras claves:Autores:Gonzalez C.A., Hasmy A., Luis Rincon, Marquez M.Fuentes:googlescopusExploring the nature of wetting by water of surfaces of Alkane-Amidethiols adsorbed on gold using the electrostatic potential topology
ArticleAbstract: The nature of the interaction of water molecules with the surface of a set of experimentally well-stPalabras claves:Autores:David Santiago Coll, Gonzalez C.A., Marquez M., Rodríguez J.A., Yosslen R. ArayFuentes:scopusExtended Hückel tight-binding calculations of electronic resonances in linear chains of gold atoms and clusters
ArticleAbstract: Electronic excitations in linear chains and icosahedra clusters of gold atoms have been studied usinPalabras claves:Autores:Gonzalez C.A., Luis RinconFuentes:googlescopusElectrostatics for exploring the nature of the hydrogen bonding in polyethylene oxide hydration
ArticleAbstract: Binding between water and models of poly(ethylene oxide), (CH2-CH2-O)n, n = 2-40, has been studied uPalabras claves:Autores:Coll S., Gonzalez C.A., Marquez M., Rodríguez J.A., Simon-Manso Y., Vega D., Weitz D.A., Yosslen R. ArayFuentes:scopusOn the charge carrier localization in zigzag carbon nanotube junctions
ArticleAbstract: In this work, we propose a novel photovoltaic device constructed from the junction of two carbon nanPalabras claves:Autores:Almeida R., Gonzalez C.A., Luis RinconFuentes:googlescopusOn the formation of suspended noble-metal monatomic chains
ArticleAbstract: We present a tight-binding molecular-dynamics investigation of the geometrical and the electronic stPalabras claves:Autores:Gonzalez C.A., Hasmy A., Hernández-Bravo R., Luis Rincon, Marquez M., Mujica V.Fuentes:googlescopusThe σ delocalization in planar boron clusters
ArticleAbstract: The σ delocalization plays an important role in the stability of small boron clusters; therefore, itPalabras claves:Autores:Almeida R., Alvarellos J.E., García-Aldea D., Gonzalez C.A., Hasmy A., Luis RinconFuentes:googlescopusTight Binding Methods for Metallic Systems
Book PartAbstract: The atomistic description of metal systems, which is the central topic of this book, is only possiblPalabras claves:Autores:Allison T.C., Gonzalez C.A., Luis RinconFuentes:scopus