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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:googlescopusInteraction of H<inf>2</inf> with alkali-metal-exchanged zeolites: A quantum mechanical study
ArticleAbstract: Recently, zeolites have been proposed as media for hydrogen by means of molecular adsorption. The inPalabras claves:Autores:Civalleri B., Fernando Javier Torres, Ricchiardi G., Vitillo J.G., Zecchina A.Fuentes:googlescopus