FOIS, ETTORE SILVESTRO

FOIS, ETTORE SILVESTRO  

DIPARTIMENTO DI SCIENZA E ALTA TECNOLOGIA  

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Risultati 1 - 20 di 156 (tempo di esecuzione: 0.036 secondi).
Titolo Data di pubblicazione Autore(i) File
A DENSITY FUNCTIONAL-STUDY OF THE ALUMINUM DIMER 1-gen-1992 Fois, ETTORE SILVESTRO; Gamba, Aldo; Sironi, M.
A METHOD FOR CORRECTING EMPIRICAL POTENTIALS - APPLICATION TO WATER MOLECULE 1-gen-1985 Demontis, P.; Suffritti, G. B.; Fois, ETTORE SILVESTRO; Gamba, Aldo
A molecular dynamics study of the behavior of sodium in low albite 1-gen-2003 Alberti, A; Fois, ETTORE SILVESTRO; Gamba, Aldo
A POTENTIAL FOR MOLECULAR-DYNAMICS SIMULATIONS OF STRUCTURAL AND DYNAMIC PROPERTIES OF HYDRATE ALUMINOSILICATES 1-gen-1991 Demontis, P.; Suffritti, G. B.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, G.
A THEORETICAL INVESTIGATION OF ENERGETICS AND STRUCTURES OF CH5+(CH4)N CLUSTERS FOR N = 1-4 1-gen-1985 Fois, ETTORE SILVESTRO; Gamba, Aldo; Simonetta, M.
A theoretical investigation of the role of the solvent on the structure of the intermediates in solvolytic reactions. Part 4. Methanediazonium ion and methyl fluoride in hydrofluoric acid 1-gen-1982 Demontis, P.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Manunza, B.; Suffritti, G. B.; Simonetta, M.
A theoretical study of the solvent effect on dissociation reactions. The role of the first solvation shell 1-gen-1983 Demontis, P.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Manunza, B.; Suffritti, G. B.; Simonetta, M.
Ab initio molecular dynamics simulation of the interaction between water and Ti in zeolitic systems 1-gen-2004 Fois, ETTORE SILVESTRO; Gamba, Aldo; Spano', Emanuela
Ab initio molecular dynamics studies of flavocytochrome b2 reduction 1-gen-2005 Tabacchi, Gloria; Vanoni, M. A.; Lederer, F.; Gamba, Aldo; Fois, ETTORE SILVESTRO
Ab initio molecular dynamics study of the Bronsted acid site in a gallium zeolite 1-gen-1999 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Ab initio study of defect sites at the inner surfaces of mesoporous silicas 1-gen-2003 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Coluccia, S; Martra, G.
ABINITIO MOLECULAR-DYNAMICS APPLIED TO MOLECULAR-SYSTEMS 1-gen-1991 Madden, P. A.; Penman, J.; Fois, ETTORE SILVESTRO
AN ABINITIO O-2 ... H2O POTENTIAL FOR MONTE-CARLO AND MOLECULAR-DYNAMICS CALCULATIONS 1-gen-1987 Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, G.; Demontis, P.; Suffritti, G. B.
AN IMPLEMENTED POTENTIAL OF NONRIGID WATER-MOLECULES FOR MOLECULAR-DYNAMICS SIMULATIONS 1-gen-1986 Demontis, P.; Suffritti, G. B.; Fois, ETTORE SILVESTRO; Gamba, Aldo
APPROACH TO METALLIC BEHAVIOR IN METAL MOLTEN-SALT SOLUTIONS 1-gen-1989 Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M.
b initio and semiempirical study of the energy and geometry of ion-molecule pairs. 5. Vinyldiazonium cation in vacuo and in solution 1-gen-1982 Fois, ETTORE SILVESTRO; Gamba, Aldo; Suffritti, G. B.; Simonetta, M.; Szele, I.; Zollinger, H.
Bathochromic effects in electronic excitation spectra of hydrated Ti zeolites: A theoretical characterization 1-gen-2008 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Behaviour at high pressure of Rb7NaGa8Si12O40·3H2O (a zeolite with EDI topology): a combined experimental–computational study 1-gen-2016 Gatta, G. D.; Tabacchi, Gloria; Fois, ETTORE SILVESTRO; Lee, Y.
BIPOLARONS IN METAL METAL HALIDE SOLUTIONS 1-gen-1988 Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M.; Car, R.
The case of formic acid on (101) anatase TiO2: where is the acid proton? 1-gen-2019 Tabacchi, Gloria; Fabbiani, Marco; Mino, Lorenzo; Martra, Gianmario; Fois, Ettore