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Theoretical explanation of the observed shift in density of states upon hydrogen chemisorption on nickel
ArticleAbstract: We report a calculation, using the MINDO/SR method, of the difference in density of states for a 14-Palabras claves:Autores:Castro G.R., Eduardo V. Ludeña, Hernandez A.J., Ruette F.Fuentes:scopusMolecular orbital calculations of the dissociative adsorption of a hydrogen molecule on a 14 atom nickel cluster
ArticleAbstract: MINDO/SR molecular orbital calculations have been performed for the Ni14H2 system in order to studyPalabras claves:Autores:Eduardo V. Ludeña, Hernandez A.J., Ruette F.Fuentes:scopusModeling the interaction of molybdenum species adsorbed on a pyrolytic graphite platform and correlations with XPS spectra at different ETAAS stages
ArticleAbstract: Adsorptions of molybdenum species and interactions on a model pyrolytic graphite platform (PGP) sitePalabras claves:DFT modeling, ETAAS, Molybdenum adsorption, Pyrolytic graphite surface, XPSAutores:Benzo Z., Griffe B., Joaquin L. Brito, Ruette F., Ruiz F.Fuentes:googlescopus