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Calphad: Computer Coupling of Phase Diagrams and Thermochemistry(1)
Journal of Physical Chemistry B(1)
Journal of Physical Chemistry C(1)
Normal 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: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:googlescopusThermodynamic and ab initio investigation of the Al-H-Mg system
ArticleAbstract: A coupled ab initio and thermodynamic study of the Al-H-Mg system has been carried out and a self-coPalabras claves:First principles calculations, Hydrogen storage materials, Magnesium alanate Mg(AlH ) 4 2, Phase diagrams, Thermodynamic calculationsAutores:Ares J.R., Baricco M., Fernandez J.F., Fernando Javier Torres, Palumbo M., Pisani C.Fuentes:googlescopus