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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:googlescopusNormal vibrational analysis of a trans-planar syndiotactic polystyrene chain
ArticleAbstract: The full vibrational spectra of α and β crystalline phases of syndiotactic polystyrene (sPS), that iPalabras claves:Autores:Albunia A.R., Civalleri B., Fernando Javier Torres, Guerra G., Musto P., Pisani C.Fuentes:googlescopusNormal vibrational analysis of the syndiotactic polystyrene s(2/1)2 helix
ArticleAbstract: The full vibrational spectra of the γ, δ and ε crystalline phases of syndiotactic polystyrene (sPS),Palabras claves:Autores:Albunia A.R., Civalleri B., Fernando Javier Torres, Guerra G., Meyer A., Pellegrino Musto , Rizzo P.Fuentes:googlescopusVibrational spectrum of katoite Ca<inf>3</inf>Al<inf>2</inf>[(OH) <inf>4</inf>]<inf>3</inf>: A periodic ab initio study
ArticleAbstract: The vibrational spectrum of the Si-free katoite hydrogarnet (116 atoms in the unit cell) has been caPalabras claves:Autores:Dovesi R., Fernando Javier Torres, Orlando R., Pascale F., Ugliengo P., Zicovich-Wilson C.M.Fuentes:googlescopus