Mostrando 6 resultados de: 6
Publisher
Journal of Physical Chemistry B(3)
Annals of the New York Academy of Sciences(1)
Chemical Physics Letters(1)
Physical Review B - Condensed Matter and Materials Physics(1)
Área temáticas
Química física(5)
Química inorgánica(3)
Química orgánica(3)
Física(2)
Ingeniería y operaciones afines(2)
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:scopusElectrostatics 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:scopusElectrostatics for exploring the nature of water adsorption on the laponite sheets surface
ArticleAbstract: In this work, the topology of the electrostatic potential using density functional theory for periodPalabras claves:Autores:Coll S., Gonzalez C.A., Marquez M., Rodríguez J.A., Simon-Manso Y., Weitz D.A., Yosslen R. ArayFuentes:scopusOn 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:googlescopus