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Article(7)
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Revista Mexicana de Fisica(2)
International Journal of Molecular Sciences(1)
International Journal of Quantum Chemistry(1)
Journal of Chemical Physics(1)
Journal of Physical Chemistry C(1)
A valence bond study of the activation of methyl halides bonds by electric fields
ArticleAbstract: In the present work, the activation of methyl halides bonds under experience of an external electricPalabras claves:alkyl-halides, external electric fields, Valence bond, σ -bond activationAutores:Fernando Javier Torres, Gerardo Armijos-Capa, Jose R. Mora, Luis Rincon, Paúl Pozo-Guerrón, Vladimir RodríguezFuentes:googlescopusExploring the Non-Covalent Bonding in Water Clusters
ArticleAbstract: QTAIM and source function analysis were used to explore the non-covalent bonding in twelve differentPalabras claves:Hydrogen bonds, non-covalent interactions, QTAIM, source functionAutores:Alí-Torres J., Almeida R., César H. Zambrano, Fernando Javier Torres, Luis E. Seijas, Luis RinconFuentes:googlescopusExtended 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:googlescopusHydrogen bond cooperativity and electron delocalization in hydrogen fluoride clusters
ArticleAbstract: A study was conducted, focusing on the cooperativity in hydrogen fluorine clusters and the role thatPalabras claves:Autores:Almeida R., Diez Y Riega H., García-Aldea D., Luis RinconFuentes:googlescopusMany-body energy decomposition analysis of cooperativity in hydrogen fluoride clusters
ArticleAbstract: This article studies the cooperativity present in hydrogen fluoride clusters, (FH)n, by means of a mPalabras claves:Cooperative effects, Electronic delocalization, Hydrogen bond, Many-body expansion, NonadditivityAutores:Aldea D., Almeida R., Luis RinconFuentes:googlescopusMinimum-energy configurations of metallic clusters obtained by simulated annealing molecular dynamics using an Extended-Hückel Hamiltonian
ArticleAbstract: Semiempirical simulated annealing molecular dynamics method using a fictitious Lagrangian has been dPalabras claves:clusters, molecular dynamics, stability, StructureAutores:Luis RinconFuentes:googlescopusTheoretical studies of energy photoemission spectra (XPS) of S and SO<inf>2</inf> adsorbed on Ni clusters by Hartree-Fock method
ArticleAbstract: Theoretical results of photoemission energy spectral of the atomic sulfur and of the SO2 molecule, aPalabras claves:Adsorption, Hartree-Fock, Sulfur, sulfur dioxide, XPSAutores:Luis Rincon, Martínez E., Rodríguez A.Fuentes:googlescopus