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A numerical calculation of the electronic specific heat for the compound Sr<inf>2</inf>RuO<inf>4</inf> below its superconducting transition temperature
ArticleAbstract: In this work, a numerical study of the superconducting specific heat of the unconventional multibandPalabras claves:Electronic specific heat, Gap structure, Line nodes, Point nodes, Superconducting density of states, Unconventional superconductorsAutores:Almeida R., Contreras P., José Luis Burgos, Ochoa E., Uzcategui D.Fuentes:scopusBasis set and correlation effects in configuration analysis of reactive systems
ArticleAbstract: A methodology for the configuration analysis of multi-configurational wave-functions of a closed-shePalabras claves:Autores:Almeida R., Luis RinconFuentes:googlescopusAn analysis of the topology of the electron charge density and the reactant-product electronic structure variation along the intrinsic reaction coordinate
ArticleAbstract: In this work the topology of the electron charge density and the variations in the reactant and prodPalabras claves:ab initio calculations, DFT calculation, Intrinsic reaction coordinate, Ionic S 2 reaction N, Menschutkin reactionAutores:Almeida R., Luis RinconFuentes:googlescopusAn analysis of two local measures of the electronic localization: A comparison with the ELF and the exchange-correlation density results
ArticleAbstract: In this work we have explored the performance of two functions, recently proposed by Ayers [J. Chem.Palabras claves:Autores:Almeida R., Alvarellos J.E., 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: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 approach to electronic excitations
ArticleAbstract: In this work, we propose the application of a self-consistent extended Hückel tight-binding (EHTB) mPalabras claves:Autores:Almeida R., Gonzalez C.A., Hasmy A., Luis RinconFuentes:googlescopusElectron density, exchange-correlation density, and bond characterization from the perspective of the valence-bond theory. I. Two simple analytical cases
ArticleAbstract: In this work, using a valence-bond wave function we obtain analytical expressions for the first- andPalabras claves:Autores:Almeida R., Alvarellos J.E., Luis RinconFuentes:googlescopusIs the Pauli exclusion principle the origin of electron localisation?
ArticleAbstract: In this work, we inquire into the origins of the electron localisation as obtained from the informatPalabras claves:Conditional pair density, Electron localisation, information theoryAutores:Almeida R., Fernando Javier Torres, Luis RinconFuentes:googlescopusStochastic effects of the solvent on the absorptive and dispersive processes in a two-level system up to first order in the external field
ArticleAbstract: We have considered the stochastic effect of a thermal reservoir on a two-level system interacting wiPalabras claves:Autores:Almeida R., Colmenares P.J., José Luis PazFuentes:scopus