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An ab initio periodic study of acidic chabazite as a candidate for dihydrogen storage
ArticleAbstract: A theoretical B3LYP study, adopting a polarized double-ζ quality Gaussian basis set, was performed tPalabras claves:Autores:Civalleri B., Fernando Javier Torres, Pisani C., Ugliengo P.Fuentes:googlescopusTheoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite
ArticleAbstract: An enthalpy of adsorption of ca. -10 kJ/mol was theoretically pbkp_redicted for the interaction of mPalabras claves:Autores:Civalleri B., Fernando Javier Torres, Pisani C., Terentyev A., Ugliengo P.Fuentes:googlescopus