Sfoglia per Autore
SOLVATED ALKALI ATOMS AND ELECTRON-TRANSFER PARAMAGNETIC ION-PAIRS - SOME COMMON TRENDS FROM COMPUTER-SIMULATION STUDIES
1994-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo
The hydrophobic hydration of oxygen: A Monte Carlo investigation
1996-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Morosi, G.
Structure and dynamics of nitrite sodalite. An ab initio Study.
1997-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; D., Maric
Structure and dynamics of nitrite sodalite. An ab initio study
1997-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Maric, D.
Host/guest interactions and femtosecond scale proton exchange in a zeolitic cage
1997-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo
Unimportance of the surrounding lattice in the adsorption of CO on low-coordinated Mg sites of MgO.
1998-01-01 A. G., Pelmenschikov; G., Morosi; Gamba, Aldo; S., Coluccia
Structure and dynamics of a Bronsted acid site in a zeolite: An ab initio study of hydrogen sodalite
1998-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Ab initio MD Calculations on Dynamics and Reactivity in confined and disordered Systems
1999-01-01 Gamba, Aldo
Dynamical host/guest interactions in zeolites: Framework isotope effects on proton transfer studied by Car-Parrinello molecular dynamics
1999-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo
Ab initio molecular dynamics study of the Bronsted acid site in a gallium zeolite
1999-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
One-dimensional ice in bikitaite: single-crystal X-ray diffraction, infra-red spectroscopy and ab-initio molecular dynamics studies
1999-01-01 Quartieri, S; Sani, A; Vezzalini, G; Galli, E; Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Hydrophobic effects: A computer simulation study of the temperature influence in dilute O-2 aqueous solutions
1999-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Redaelli, C.
Dynamical disorder in hydroxo- and nitrite-sodalitecages investigated by first principles simulations
2000-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Can the three-coordinated Mg site of MgO accommodate more than one CO molecule?
2000-01-01 Pelmenschikov, A; Morosi, Gabriele; Gamba, Aldo; Coluccia, S; Martra, G; Pettersson, Lgm
First-principles simulation of the intracage oxidation of nitrite to nitrate sodalite
2000-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Water molecules in single file: First-principles studies of one-dimensional water chains in zeolites
2001-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Quartieri, S; Vezzalini, G.
Relaxation and fluctuations in quantum chaos
2001-01-01 Casati, Giulio; Gamba, Aldo; Spano, E.
Electronic properties of new zeolitic supra-lattices
2001-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Spano, E.
On the collective properties of water molecules in one-dimensional zeolitic channels
2001-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Quartieri, S; Vezzalini, G.
Structure and dynamics of the flexible triple helix of water inside VPI-5 molecular sieves
2002-01-01 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tilocca, A.
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