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International Journal of Hydrogen Energy(1)
Journal of Physical Chemistry C(1)
Journal of Physics: Conference Series(1)
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Ingeniería y operaciones afines(2)
Química orgánica(2)
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A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code
ArticleAbstract: In the present paper, a review of our previously published results about the ab initio modeling on tPalabras claves:ab initio calculations, Hydrogen storage, ZeolitesAutores:Civalleri B., Fernando Javier Torres, Pisani C., Terentyev A., Ugliengo P.Fuentes:googlescopusAb Initio investigation of the interaction of H<inf>2</inf> with lithium exchanged low-silica chabazites
Conference ObjectAbstract: The interaction of molecular hydrogen with the polarizing centers of lithium-exchanged chabazites wiPalabras claves:Autores:Civalleri B., Demichelis R., Fernando Javier Torres, Terentyev A., 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