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Adsorption of thiophene on the RuS <inf>2</inf> (100) and (111) surfaces: A Laplacian of the electronic charge density study
ArticleAbstract: To study the effect of the surface Ru sulfur coordination number and of the surface S-H and Ru-H spePalabras claves:Autores:Coll S., Rodríguez J.A., Rodriguez-Arias E.N., Rosillo F., Vega D., 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:scopusNature of the Lewis acid sites on molybdenum and ruthenium sulfides: An electrostatic potential study
ArticleAbstract: The energy of formation and the Lewis acid strength of sulfur vacancies or coordinative unsaturatedPalabras claves:Autores:Coll S., Rodríguez J.A., Rodriguez-Arias E.N., Vega D., Yosslen R. ArayFuentes:scopusLaplacian of the electronic charge density and heat of adsorption of O<inf>2</inf> and CO molecules on 3d transition metals
ArticleAbstract: A topological analysis of the Laplacian of the electronic charge density of bulk 3d transition metalPalabras claves:Autores:Rodríguez J.A., Vega D., Yosslen R. ArayFuentes:scopusTopology of the Electron Density and Cohesive Energy of the Face-Centered Cubic Transition Metals
ArticleAbstract: The topology of the electron density for face-centered cubic transition metals (β-Co, Ni, Cu, Rh, PdPalabras claves:Autores:Rodríguez J.A., Vega D., Yosslen R. ArayFuentes:scopus