Properties of supercritical water: an ab initio simulation von Fois, E.S., Sprik, M., Parrinello, M.

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Molecular dynamics studies on zeolites. 6. Temperature dependence of diffusion of methane in silicalite von Demontis, P, Suffritti, G. B, Fois, E. S, Quartieri, S

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Molecular dynamics study of the interlayer water in phyllosilicates von Demontis, P., Fois, E.S., Gamba, A., Manunza, B., Suffritti, G.B.

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Molecular dynamics studies on zeolites. 4. Diffusion of methane in silicalite von Demontis, Pierfranco, Fois, Ettore S, Suffritti, Giuseppe B, Quartieri, Simona

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Charge layering in polar liquids von Bressanini, D., Fois, E.S., Gamba, A., Morosi, G.

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Bipolarons in metal-metal halide solutions von Fois, E. S, Selloni, A, Parrinello, M, Car, R

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A potential for molecular dynamics simulations of structural and dynamic properties of hydrate aluminosilicates von Demontis, P., Suffritti, G.B., Fois, E.S., Gamba, A., Morosi, G.

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Monte Carlo studies of aqueous solution of nitrogen using different potential energy surfaces von Fois, E.S., Gamba, A., Morosi, G., Demontis, P., Suffritti, G.B.

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A density functional study of the aluminium dimer von Fois, E.S., Gamba, A., Sironi, M.

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A theoretical study of the solvent effect on dissociation reactions. The role of first solvation shell von Demontis, P., Fois, E.S., Gamba, A., Manunza, B., Suffritti, G.B., Simonetta, M.

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Molecular dynamics studies on zeolites. II: A simple model for silicates applied to anhydrous natrolite von Demontis, P., Suffritti, G.B., Quartieri, S., Fois, E.S., Gamba, A.

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A method for correcting empirical potentials. Application to water molecule von Demontis, P., Suffritti, G.B., Fois, E.S., Gamba, A.

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Molecular dynamics study of the interlayer water in phyllosilicates von Demontis, P., Fois, E.S., Gamba, A., Manunza, B., Suffritti, G.B.

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A theoretical study of the solvent effect on dissociation reactions. The role of the first solvation shell von Demontis, P., Fois, E.S., Gamba, A., Manunza, B., Suffritti, G.B., Simonetta, M.

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