Sfoglia per Autore
High-pressure behavior of bikitaite: An integrated theoretical and experimental approach
2002-01-01 Ferro, O; Quartieri, S; Vezzalini, G; Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Rotation of molecules and ions in confined spaces: a first-principles simulation study
2003-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Spano, E; Tabacchi, Gloria
Ab initio study of defect sites at the inner surfaces of mesoporous silicas
2003-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Coluccia, S; Martra, G.
A molecular dynamics study of the behavior of sodium in low albite
2003-01-01 Alberti, A; Fois, ETTORE SILVESTRO; Gamba, Aldo
The role of extra-framework cations on the structure of dehydrated Li-ABW. A computer simulation study
2003-01-01 Ceriani, C; Fois, ETTORE SILVESTRO; Gamba, Aldo
On the unusual stability of Maya blue paint: molecular dynamics simulations
2003-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tilocca, A.
Competition between water and hydrogen peroxide at Ti center in Titanium zeolites. An ab initio study
2004-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Spano, E.
Dehydration dynamics of bikitaite: Part I. In situ synchrotron powder X-ray diffraction study
2004-01-01 Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, Chiara; Fois, ETTORE SILVESTRO; Gamba, Aldo; Cruciani, G.
Ab initio molecular dynamics simulation of the interaction between water and Ti in zeolitic systems
2004-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Spano', Emanuela
Molecular dynamics simulation of reconstructive phase transitions on an anhydrous zeolite
2004-01-01 Ceriani, C; Laio, A; Fois, ETTORE SILVESTRO; Gamba, Aldo; Martonak, R; Parrinello, M.
Dehydration dynamics of bikitaite: Part II. Ab initio molecular dynamics study
2004-01-01 Ceriani, C; Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Ferro, O; Quartieri, S; Vezzalini, G.
Ab initio molecular dynamics studies of flavocytochrome b2 reduction
2005-01-01 Tabacchi, Gloria; Vanoni, M. A.; Lederer, F.; Gamba, Aldo; Fois, ETTORE SILVESTRO
ELECTRONIC SPECTRA OF TI(IV) IN ZEOLITES: AN AB INITIO APPROACH.
2005-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
The "template" effect of the extra-framework content on zeolite compression: The case of yugawaralite
2005-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Arletti, R; Quartieri, S; Vezzalini, G.
Conjugated molecules in nanochannels: nanoengineering for optoelectronics.
2005-01-01 Tubino, R; Fois, ETTORE SILVESTRO; Gamba, Aldo; Macchi, G; Meinardi, F; Minoia, A.
Intermolecular electronic excitation transfer in a confined space: A first-principles study.
2005-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Medici, C; Tabacchi, Gloria
High-pressure behaviour of yugawaralite at different water content: an ab initio study
2005-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Quartieri, S; Arletti, R; Vezzalini, G.
Electronic spectra of Ti(IV) in zeolites: an ab initio approach
2005-01-01 Fois, E.; Gamba, A.; Tabacchi, G.
On the Role of Ti(IV) as a Lewis Acid in the Chemistry of Titanium Zeolites: Formation, Structure, Reactivity, and Aging of Ti-Peroxo Oxidizing Intermediates. A First Principles Study
2006-01-01 Spano, E.; Tabacchi, Gloria; Gamba, Aldo; Fois, ETTORE SILVESTRO
Understanding the Vibrational and Electronic Features of Ti(IV) Sites in Mesoporous Silicas by Integrated Ab Initio and Spectroscopic Investigations
2007-01-01 Tabacchi, Gloria; Gianotti, E; Fois, ETTORE SILVESTRO; Martra, G; Marchese, L; Coluccia, S; Gamba, Aldo
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