Sfoglia per Autore
Theoretical study of the solvation of Nitrogen. Two different approaches
1981-01-01 Demontis, P.; Ercoli, R.; Fois, E. S.; Gamba, A.; Suffritti, Giuseppe Baldovino
A theoretical investigation on the energy and the structure of ion-molecule pairs in polar solvents. Part 2. Methanediazonium in water
1981-01-01 Demontis, P.; Ercoli, R.; Gamba, A.; Suffritti, Giuseppe Baldovino; Simonetta, M.
An intermolecular potential function for the N2-H2O system from ab initio MO calculations
1982-01-01 Demontis, P.; Gamba, A.; Manunza, Bruno Mario Luigi; Suffritti, Giuseppe Baldovino
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, E. S.; Gamba, A.; Manunza, B.; Suffritti, Giuseppe Baldovino; 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, E. S.; Gamba, A.; Manunza, B.; Suffritti, Giuseppe Baldovino
Molecular Dynamics study of the interlayer water in phyllosilicates
1983-01-01 Demontis, P.; Fois, E. S.; Gamba, A.; Manunza, B.; Suffritti, Giuseppe Baldovino
A theoretical investigations on the role of solvent in solvolytic reactions. Part 5. Fluoromethane in Methane
1983-01-01 Demontis, P.; Gamba, A.; Suffritti, Giuseppe Baldovino; Simonetta, M.
A method for correcting empirical potentials. Application to water molecule
1985-01-01 Demontis, P.; Fois, E. S.; Gamba, A.; Suffritti, Giuseppe Baldovino
Molecular Dynamics studies on Zeolites. I. Water in Natrolite
1986-01-01 Demontis, P.; Suffritti, Giuseppe Baldovino; Alberti, Alberto; Quartieri, S.; Fois, E. S.; Gamba, A.
Monte Carlo studies of aqueous solution of nitrogen using different potential energy surfaces
1986-01-01 Fois, E. S.; Gamba, A.; Morosi, G.; Demontis, P.; Suffritti, Giuseppe Baldovino
An implemented potential of non-rigid water molecules for Molecular Dynamics simulations
1986-01-01 Demontis, P.; Suffritti, Giuseppe Baldovino; Fois, E. S.; Gamba, A.
Molecular Dynamics simulation of hydrate silicates. A test on Natrolite
1987-01-01 Demontis, P.; Suffritti, Giuseppe Baldovino; Quartieri, S.; Fois, E. S.; Gamba, A.
Molecular Dynamics studies on Zeolites. II. A simple model for silicates applied to anhydrous Natrolite
1987-01-01 Demontis, P.; Suffritti, Giuseppe Baldovino; Quartieri, S.; Fois, E. S.; Gamba, A.
An ab initio O2--H2O potential for Monte Carlo and Molecular Dynamics calculations
1987-01-01 Fois, E. S.; Gamba, A.; Morosi, G.; Demontis, P.; Suffritti, Giuseppe Baldovino
New high-pressure phases of ice
1988-01-01 Lesar, Richard; Klein, Michael L.; Demontis, Pierfranco
Molecular Dynamics studies on Zeolites. III. Dehydrated Zeolite A
1988-01-01 Demontis, P.; Suffritti, Giuseppe Baldovino; Quartieri, S.; Fois, E. S.; Gamba, A.
High-density structures and phase transition in an ionic model of H2O ice
1989-01-01 Demontis, Pierfranco; Klein, Michael L.; Lesar, Richard
The structure of liquid water: simulations vs. experiment
1990-01-01 Fois, E. S.; Gamba, A.; Morosi, G.; Ponti, A.; Demontis, P.; Suffritti, Giuseppe Baldovino
Molecular Dynamics studies on Zeolites. 4. Diffusion of methane in silicalite
1990-01-01 Demontis, P.; Suffritti, Giuseppe Baldovino; Fois, E. S.; Quartieri, S.
Analytical potentials from ab initio SCF interaction energies: problems, methods and results
1990-01-01 Demontis, P.; Petrongolo, C.; Suffritti, Giuseppe Baldovino
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, E. S.; Gamba, A.; Suffritti, Giuseppe Baldovino | |
A theoretical investigation on the energy and the structure of ion-molecule pairs in polar solvents. Part 2. Methanediazonium in water | 1-gen-1981 | Demontis, P.; Ercoli, R.; Gamba, A.; Suffritti, Giuseppe Baldovino; Simonetta, M. | |
An intermolecular potential function for the N2-H2O system from ab initio MO calculations | 1-gen-1982 | Demontis, P.; Gamba, A.; Manunza, Bruno Mario Luigi; Suffritti, Giuseppe Baldovino | |
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, E. S.; Gamba, A.; Manunza, B.; Suffritti, Giuseppe Baldovino; 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, E. S.; Gamba, A.; Manunza, B.; Suffritti, Giuseppe Baldovino | |
Molecular Dynamics study of the interlayer water in phyllosilicates | 1-gen-1983 | Demontis, P.; Fois, E. S.; Gamba, A.; Manunza, B.; Suffritti, Giuseppe Baldovino | |
A theoretical investigations on the role of solvent in solvolytic reactions. Part 5. Fluoromethane in Methane | 1-gen-1983 | Demontis, P.; Gamba, A.; Suffritti, Giuseppe Baldovino; Simonetta, M. | |
A method for correcting empirical potentials. Application to water molecule | 1-gen-1985 | Demontis, P.; Fois, E. S.; Gamba, A.; Suffritti, Giuseppe Baldovino | |
Molecular Dynamics studies on Zeolites. I. Water in Natrolite | 1-gen-1986 | Demontis, P.; Suffritti, Giuseppe Baldovino; Alberti, Alberto; Quartieri, S.; Fois, E. S.; Gamba, A. | |
Monte Carlo studies of aqueous solution of nitrogen using different potential energy surfaces | 1-gen-1986 | Fois, E. S.; Gamba, A.; Morosi, G.; Demontis, P.; Suffritti, Giuseppe Baldovino | |
An implemented potential of non-rigid water molecules for Molecular Dynamics simulations | 1-gen-1986 | Demontis, P.; Suffritti, Giuseppe Baldovino; Fois, E. S.; Gamba, A. | |
Molecular Dynamics simulation of hydrate silicates. A test on Natrolite | 1-gen-1987 | Demontis, P.; Suffritti, Giuseppe Baldovino; Quartieri, S.; Fois, E. S.; Gamba, A. | |
Molecular Dynamics studies on Zeolites. II. A simple model for silicates applied to anhydrous Natrolite | 1-gen-1987 | Demontis, P.; Suffritti, Giuseppe Baldovino; Quartieri, S.; Fois, E. S.; Gamba, A. | |
An ab initio O2--H2O potential for Monte Carlo and Molecular Dynamics calculations | 1-gen-1987 | Fois, E. S.; Gamba, A.; Morosi, G.; Demontis, P.; Suffritti, Giuseppe Baldovino | |
New high-pressure phases of ice | 1-gen-1988 | Lesar, Richard; Klein, Michael L.; Demontis, Pierfranco | |
Molecular Dynamics studies on Zeolites. III. Dehydrated Zeolite A | 1-gen-1988 | Demontis, P.; Suffritti, Giuseppe Baldovino; Quartieri, S.; Fois, E. S.; Gamba, A. | |
High-density structures and phase transition in an ionic model of H2O ice | 1-gen-1989 | Demontis, Pierfranco; Klein, Michael L.; Lesar, Richard | |
The structure of liquid water: simulations vs. experiment | 1-gen-1990 | Fois, E. S.; Gamba, A.; Morosi, G.; Ponti, A.; Demontis, P.; Suffritti, Giuseppe Baldovino | |
Molecular Dynamics studies on Zeolites. 4. Diffusion of methane in silicalite | 1-gen-1990 | Demontis, P.; Suffritti, Giuseppe Baldovino; Fois, E. S.; Quartieri, S. | |
Analytical potentials from ab initio SCF interaction energies: problems, methods and results | 1-gen-1990 | Demontis, P.; Petrongolo, C.; Suffritti, Giuseppe Baldovino |
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