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Theoretical study of the solvation of nitrogen. Two different approaches 1-gen-1981 Demontis, P.; Ercoli, R.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Suffritti, G. B.
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.
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.
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.
Molecular dynamics study of the interlayer water in phyllosilicates 1-gen-1983 Demontis, P.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Manunza, B.; Suffritti, G. B.
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 METHOD FOR CORRECTING EMPIRICAL POTENTIALS - APPLICATION TO WATER MOLECULE 1-gen-1985 Demontis, P.; Suffritti, G. B.; Fois, ETTORE SILVESTRO; Gamba, Aldo
MONTE-CARLO STUDIES OF AQUEOUS-SOLUTION OF NITROGEN USING DIFFERENT POTENTIAL-ENERGY SURFACES 1-gen-1986 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
MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .1. WATER IN NATROLITE 1-gen-1986 Demontis, P.; Suffritti, G. B.; Alberti, A.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, Aldo
Molecular dynamics simulation of hydrate silicates. A test on natrolite 1-gen-1987 Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, Aldo
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.
MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .2. A SIMPLE-MODEL FOR SILICATES APPLIED TO ANHYDROUS NATROLITE 1-gen-1987 Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, Aldo
MONTE-CARLO CALCULATIONS ON STRUCTURAL AND THERMODYNAMIC CHARACTERISTICS FOR ACETONE AND THE NA+-ACETONE SYSTEM AT 298-K 1-gen-1989 Mustafin, D. I.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Morozi, G.
THE STRUCTURE OF LIQUID WATER - SIMULATIONS VS EXPERIMENTS 1-gen-1990 Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, G.; Ponti, A.; Demontis, P.; Suffritti, G. B.
MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .5. DISCUSSION OF THE STRUCTURAL-CHANGES OF SILICALITE 1-gen-1991 Demontis, P.; Suffritti, G. B.; Quartieri, S.; Gamba, Aldo; Fois, ETTORE SILVESTRO
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.
On the adiabatic dynamics of paramagnetic ion pairs 1-gen-1992 Fois, ETTORE SILVESTRO; Gamba, Aldo
A DENSITY FUNCTIONAL-STUDY OF THE ALUMINUM DIMER 1-gen-1992 Fois, ETTORE SILVESTRO; Gamba, Aldo; Sironi, M.
Charge layering in polar liquids 1-gen-1992 Bressanini, Dario; Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, Gabriele
Mostrati risultati da 1 a 20 di 77
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