ACNP - Italian Periodicals Catalogue

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Results: 1-10 |

Results: 10

Water molecules in single file: First-principles studies of one-dimensional water chains in zeolites

Authors: Fois, E Gamba, A Tabacchi, G Quartieri, S Vezzalini, G

Citation: E. Fois et al., Water molecules in single file: First-principles studies of one-dimensional water chains in zeolites, J PHYS CH B, 105(15), 2001, pp. 3012-3016

On the collective properties of water molecules in one-dimensional zeolitic channels

Authors: Fois, E Gamba, A Tabacchi, G Quartieri, S Vezzalini, G

Citation: E. Fois et al., On the collective properties of water molecules in one-dimensional zeolitic channels, PHYS CHEM P, 3(18), 2001, pp. 4158-4163

Electronic properties of new zeolitic supra-lattices

Authors: Fois, E Gamba, A Spano, E

Citation: E. Fois et al., Electronic properties of new zeolitic supra-lattices, PHYS CHEM P, 3(10), 2001, pp. 1877-1882

First-principles simulation of the intracage oxidation of nitrite to nitrate sodalite

Authors: Fois, E Gamba, A Tabacchi, G

Citation: E. Fois et al., First-principles simulation of the intracage oxidation of nitrite to nitrate sodalite, CHEM P LETT, 329(1-2), 2000, pp. 1-6

Dynamical host/guest interactions in zeolites: Framework isotope effects on proton transfer studied by Car-Parrinello molecular dynamics

Authors: Fois, E Gamba, A

Citation: E. Fois et A. Gamba, Dynamical host/guest interactions in zeolites: Framework isotope effects on proton transfer studied by Car-Parrinello molecular dynamics, J PHYS CH B, 103(11), 1999, pp. 1794-1799

Ab initio molecular dynamics study of the Bronsted acid site in a gallium zeolite

Authors: Fois, E Gamba, A Tabacchi, G

Citation: E. Fois et al., Ab initio molecular dynamics study of the Bronsted acid site in a gallium zeolite, PCCP PHYS C, 1(4), 1999, pp. 531-536

One-dimensional ice in bikitaite: single-crystal X-ray diffraction, infra-red spectroscopy and ab-initio molecular dynamics studies

Authors: Quartieri, S Sani, A Vezzalini, G Galli, E Fois, E Gamba, A Tabacchi, G

Citation: S. Quartieri et al., One-dimensional ice in bikitaite: single-crystal X-ray diffraction, infra-red spectroscopy and ab-initio molecular dynamics studies, MICROP M M, 30(1), 1999, pp. 77-87

Dipolar host guest interactions and geometrical confinement at the basis of the stability of one-dimensional ice in zeolite bikitaite

Authors: Fois, E Tabacchi, G Quartieri, S Vezzalini, G

Citation: E. Fois et al., Dipolar host guest interactions and geometrical confinement at the basis of the stability of one-dimensional ice in zeolite bikitaite, J CHEM PHYS, 111(1), 1999, pp. 355-359

Hydrophobic effects: A computer simulation study of the temperature influence in dilute O-2 aqueous solutions

Authors: Fois, E Gamba, A Redaelli, C

Citation: E. Fois et al., Hydrophobic effects: A computer simulation study of the temperature influence in dilute O-2 aqueous solutions, J CHEM PHYS, 110(2), 1999, pp. 1025-1035

Cation-anion versus cation-framework interactions in sodalites: First-principles study of model Cu-exchanged sodalites

Authors: Bernasconi, L Fois, E Selloni, A

Citation: L. Bernasconi et al., Cation-anion versus cation-framework interactions in sodalites: First-principles study of model Cu-exchanged sodalites, J CHEM PHYS, 110(18), 1999, pp. 9048-9055

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