Sfoglia per Autore
Theoretical study of the solvation of nitrogen. Two different approaches
1981-01-01 Demontis, P.; Ercoli, R.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Suffritti, G. B.
b initio and semiempirical study of the energy and geometry of ion-molecule pairs. 5. Vinyldiazonium cation in vacuo and in solution
1982-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Suffritti, G. B.; Simonetta, M.; Szele, I.; Zollinger, H.
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
1982-01-01 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
1983-01-01 Demontis, P.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Manunza, B.; Suffritti, G. B.; Simonetta, M.
Molecular dynamics study of the interlayer water in phyllosilicates
1983-01-01 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
1985-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Simonetta, M.
A METHOD FOR CORRECTING EMPIRICAL POTENTIALS - APPLICATION TO WATER MOLECULE
1985-01-01 Demontis, P.; Suffritti, G. B.; Fois, ETTORE SILVESTRO; Gamba, Aldo
MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .1. WATER IN NATROLITE
1986-01-01 Demontis, P.; Suffritti, G. B.; Alberti, A.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, Aldo
MONTE-CARLO STUDIES OF AQUEOUS-SOLUTION OF NITROGEN USING DIFFERENT POTENTIAL-ENERGY SURFACES
1986-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, G.; Demontis, P.; Suffritti, G. B.
AN IMPLEMENTED POTENTIAL OF NONRIGID WATER-MOLECULES FOR MOLECULAR-DYNAMICS SIMULATIONS
1986-01-01 Demontis, P.; Suffritti, G. B.; Fois, ETTORE SILVESTRO; Gamba, Aldo
AN ABINITIO O-2 ... H2O POTENTIAL FOR MONTE-CARLO AND MOLECULAR-DYNAMICS CALCULATIONS
1987-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, G.; Demontis, P.; Suffritti, G. B.
Molecular dynamics simulation of hydrate silicates. A test on natrolite
1987-01-01 Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, Aldo
MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .2. A SIMPLE-MODEL FOR SILICATES APPLIED TO ANHYDROUS NATROLITE
1987-01-01 Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, Aldo
MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .3. DEHYDRATED ZEOLITE-A
1988-01-01 Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, A.
BIPOLARONS IN METAL METAL HALIDE SOLUTIONS
1988-01-01 Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M.; Car, R.
SIMULATION OF ELECTRONS IN MOLTEN-SALTS
1989-01-01 Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M.
APPROACH TO METALLIC BEHAVIOR IN METAL MOLTEN-SALT SOLUTIONS
1989-01-01 Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M.
MONTE-CARLO CALCULATIONS ON STRUCTURAL AND THERMODYNAMIC CHARACTERISTICS FOR ACETONE AND THE NA+-ACETONE SYSTEM AT 298-K
1989-01-01 Mustafin, D. I.; Fois, ETTORE SILVESTRO; Gamba, Aldo; Morozi, G.
THE STRUCTURE OF LIQUID WATER - SIMULATIONS VS EXPERIMENTS
1990-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, G.; Ponti, A.; Demontis, P.; Suffritti, G. B.
MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .4. DIFFUSION OF METHANE IN SILICALITE
1990-01-01 Demontis, P.; Fois, ETTORE SILVESTRO; Suffritti G. B., Quartieri S.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| 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. | |
| 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 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. | |
| 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 | |
| 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 | |
| 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 | |
| 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 simulation of hydrate silicates. A test on natrolite | 1-gen-1987 | Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, Aldo | |
| 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 | |
| MOLECULAR-DYNAMICS STUDIES ON ZEOLITES .3. DEHYDRATED ZEOLITE-A | 1-gen-1988 | Demontis, P.; Suffritti, G. B.; Quartieri, S.; Fois, ETTORE SILVESTRO; Gamba, A. | |
| BIPOLARONS IN METAL METAL HALIDE SOLUTIONS | 1-gen-1988 | Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M.; Car, R. | |
| SIMULATION OF ELECTRONS IN MOLTEN-SALTS | 1-gen-1989 | Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M. | |
| APPROACH TO METALLIC BEHAVIOR IN METAL MOLTEN-SALT SOLUTIONS | 1-gen-1989 | Fois, ETTORE SILVESTRO; Selloni, A.; Parrinello, M. | |
| 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 .4. DIFFUSION OF METHANE IN SILICALITE | 1-gen-1990 | Demontis, P.; Fois, ETTORE SILVESTRO; Suffritti G. B., Quartieri S. |
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile