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Mostrati risultati da 41 a 60 di 213
Titolo Data di pubblicazione Autore(i) File
A molecular dynamics study of diffusion of methane in partially dealuminated zeolite Na A 1-gen-1997 Demontis, P.; Suffritti, Giuseppe Baldovino
Molecular-dynamics calculations of thermodynamic properties of metastable alloys 1-gen-1997 Demontis, Pierfranco; Rosato, Vittorio; Pintore, Marco; Suffritti, Giuseppe Baldovino; Mazzone, Giorgio; Delogu, Francesco
Molecular dynamics study of chemical processes in zeolites 1-gen-1997 Delogu, F; Demontis, P; Suffritti, Giuseppe Baldovino; Tilocca, A.
Molecular Dynamics investigation of sorption of methane in dealuminated A-type zeolites 1-gen-1997 Demontis, P.; Suffritti, Giuseppe Baldovino
A Classical molecular dynamics study of recombination reactions in a microporous solid 1-gen-1998 Demontis, Pierfranco; Delogu, Francesco; Tilocca, Antonio; Suffritti, Giuseppe Baldovino
About the influence of lattice vibrations on the diffusion of methane in cation-free LTA zeolite 1-gen-1998 Fritzsche, F.; Wolfsberg, M.; Haberlandt, R.; Demontis, P.; Suffritti, Giuseppe Baldovino; Tilocca, A.
A classical Molecular Dynamics study of recombination reactions in a microporous solid 1-gen-1998 Delogu, F.; Demontis, P.; Suffritti, Giuseppe Baldovino; Tilocca, A:
Recombination reactions and diffusive properties of diatomic molecules in two different microporous structures; silicalite and ZK4 1-gen-1999 Demontis, P.; Suffritti, Giuseppe Baldovino; Tilocca, A.
Molecular Dynamics simulation of an activated transfer reaction in zeolites 1-gen-1999 Demontis, Pierfranco; Suffritti, Giuseppe Baldovino; Tilocca, A.
Molecular dynamics simulation of an activated transfer reaction in zeolites 1-gen-1999 Demontis, Pierfranco; Tilocca, Antonio; Suffritti, Giuseppe Baldovino
'Two step' model of molecular diffusion in silicalite 1-gen-1999 Kaerger, J.; Demontis, P.; Suffritti, Giuseppe Baldovino; Tilocca, A.
"Two-step" model of molecular diffusion in silicalite 1-gen-1999 Demontis, Pierfranco; Kärger, Jörg; Suffritti, Giuseppe Baldovino; Tilocca, Antonio
Application of correlated and uncorrelated models to the diffusion of linear molecules in silicalite 1-gen-1999 Demontis, Pierfranco; Suffritti, Giuseppe Baldovino; A., Tilocca
Diffusion of small flexible molecules in silicalite: computer simulations and test of statistical models 1-gen-1999 Demontis, Pierfranco; Suffritti, Giuseppe Baldovino; Tilocca, A.
Molecular Dynamics simulations of hydrated zeolites: preliminary results for Natrolite and Scolecite 1-gen-1999 Demontis, Pierfranco; Spanu, S.; Suffritti, Giuseppe Baldovino; Tilocca, A.
Application of the two-step model to the diffusion of linear diatomic and triatomic molecules in silicalite 1-gen-2000 Demontis, P; Kaerger, J; Suffritti, Giuseppe Baldovino; Tilocca, A.
Two- and N-step correlated models for the analysis of MD trajectories of linear molecules in silicalite 1-gen-2000 Demontis, P.; Suffritti, Giuseppe Baldovino; A., Tilocca
Electric field dependent empirical potentials for molecules and crystals. A first application to flexible water molecule adsorbed in zeolites 1-gen-2000 Cicu, P; Demontis, Pierfranco; Spanu, S; Suffritti, Giuseppe Baldovino; Tilocca, A.
Two- andN-step correlated models for the analysis of molecular dynamics trajectories of linear molecules in silicalite 1-gen-2000 Demontis, Pierfranco; Tilocca, Antonio; Suffritti, Giuseppe Baldovino
Electric-field-dependent empirical potentials for molecules and crystals: a first application to flexible water molecule adsorbed in zeolites 1-gen-2000 Demontis, Pierfranco; Cicu, P.; Spanu, Silvano; Tilocca, Antonio; Suffritti, Giuseppe Baldovino
Mostrati risultati da 41 a 60 di 213
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