AN INTERMOLECULAR POTENTIAL FUNCTION FOR THE N₂-H₂O SYSTEM FROM AB INITIO MO CALCULATIONSDEMONTIS P; GAMBA A; MANUNZA B et al.1982; MOLECULAR PHYSICS; ISSN 0026-8976; GBR; DA. 1982; VOL. 47; NO 2; PP. 347-354; BIBL. 20 REF.Article

Molecular dynamics study of zeolites: the role of disorderSUFFRITTI, G. B; DEMONTIS, P.Phase transitions (Print). 1994, Vol 52, Num 2-3, pp 191-211, issn 0141-1594Article

A THEORETICAL INVESTIGATION ON THE ROLE OF SOLVENT IN SOLVOLYTIC REACTIONS. V: FLUOROMETHANE IN METHANEDEMONTIS P; GAMBA A; SUFFRITTI GB et al.1983; C.S. PERKIN TRANSACTIONS 2; ISSN 0300-9580; GBR; DA. 1983; NO 7; PP. 997-1002; BIBL. 12 REF.Article

THEORETICAL STUDY OF THE SOLVATION OF NITROGEN: TWO DIFFERENT APPROACHESDEMONTIS P; ERCOLI R; FOIS ES et al.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 58; NO 2; PP. 97-109; BIBL. 31 REF.Article

Molecular dynamics investigation of the diffusion of methane in a cubic symmetry zeolite of type ZK4DEMONTIS, P; SUFFRITTI, G. B.Chemical physics letters. 1994, Vol 223, Num 4, pp 355-362, issn 0009-2614Article

A THEORETICAL INVESTIGATION OF THE ROLE OF THE SOLVENT ON THE STRUCTURE OF THE INTERMEDIATES IN SOLVOLYTIC REACTIONS. IV: METHANEDIAZONIUM ION AND METHYL FLUORIDE IN HYDROFLUORIC ACIDDEMONTIS P; FOIS E; GAMBA A et al.1982; C.S. PERKIN TRANS. 2; ISSN 0300-9580; GBR; DA. 1982; NO 7; PP. 783-788; BIBL. 9 REF.Article

Localization and mobility of benzene in sodium-Y zeolite by molecular dynamics calculationsDEMONTIS, P; SUBRAMANIAN YASHONATH; KLEIN, M. L et al.Journal of physical chemistry (1952). 1989, Vol 93, Num 13, pp 5016-5019, issn 0022-3654Article

A molecular dynamics study of diffusion of methane in silicalite molecular sieve at high dilutionDEMONTIS, P; SUFFRITTI, G. B; MURA, P et al.Chemical physics letters. 1992, Vol 191, Num 6, pp 553-560, issn 0009-2614Article

A molecular dynamics study of methane in zeolite NaYYASHONATH, S; DEMONTIS, P; KLEIN, M. L et al.Chemical physics letters. 1988, Vol 153, Num 6, pp 551-556, issn 0009-2614Article

New high-pressure phases of iceDEMONTIS, P; LESAR, R; KLEIN, M. L et al.Physical review letters. 1988, Vol 60, Num 22, pp 2284-2287, issn 0031-9007Article

Molecular dynamics simulation of anomalous diffusion of one-dimensional water molecule chains in Li-ABW zeoliteDEMONTIS, P; STARA, G; SUFFRITTI, G. B et al.Microporous and mesoporous materials. 2005, Vol 86, Num 1-3, pp 166-175, issn 1387-1811, 10 p.Article

Computer simulations of dynamic crossover phenomena in nanoconfined water : DYNAMIC CROSSOVER PHENOMENA IN WATER AND OTHER GLASS-FORMING LIQUIDSSUFFRITTI, G. B; DEMONTIS, P; GULIN-GONZALEZ, J et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 6, issn 0953-8984, 064110.1-064110.11Article

Application of the two-step model to the diffusion of linear diatomic and triatomic molecules in silicaliteDEMONTIS, P; KÄRGER, J; SUFFRITTI, G. B et al.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 7, pp 1455-1463, issn 1463-9076Article

Molecular dynamics studies on zeolites. VI: Temperature dependence of diffusion of methane in silicaliteDEMONTIS, P; SUFFRITTI, G. B; FOIS, E. S et al.Journal of physical chemistry (1952). 1992, Vol 96, Num 3, pp 1482-1490, issn 0022-3654Article

Molecular dynamics studies on zeolites. V, Discussion of the structural changes of silicaliteDEMONTIS, P; SUFFRITTI, G. B; GAMBA, A et al.Journal of the Chemical Society. Faraday transactions. 1991, Vol 87, Num 10, pp 1657-1663, 7 p.Article

An implemented potential of non-rigid water molecules for molecular dynamics simulationsDEMONTIS, P; SUFFRITTI, G. B; FOIS, E. S et al.Chemical physics letters. 1986, Vol 127, Num 5, pp 456-461, issn 0009-2614Article

Molecular dynamics studies on zeolites. III: Dehydrated zeolite ADEMONTIS, P; SUFFRITTI, G. B; QUARTIERI, S et al.Journal of physical chemistry (1952). 1988, Vol 92, Num 4, pp 867-871, issn 0022-3654Article

Monte Carlo studies of aqueous solution of nitrogen using different potential energy surfacesFOIS, E. S; GAMBA, A; MOROSI, G et al.Molecular physics (Print). 1986, Vol 58, Num 1, pp 65-83, issn 0026-8976Article

A study of the pressure-induced reversible amorphization of Xe containing-LTA zeolites by energy minimization techniqueGULIN GONZALEZ, J; DORTA-URRA, A; DEMONTIS, P et al.Microporous and mesoporous materials. 2009, Vol 123, Num 1-3, pp 30-38, issn 1387-1811, 9 p.Article

An effective harmonic potential for aluminophosphate molecular sieves : application to AlPO₄-5DEMONTIS, P; GULIN GONZALEZ, J; SUFFRITTI, G. B et al.Microporous and mesoporous materials. 2001, Vol 42, Num 1, pp 103-111, issn 1387-1811Article

Molecular dynamics studies on zeolites. II: A simple model for silicates applied to anhydrous natroliteDEMONTIS, P; SUFFRITTI, G. B; QUARTIERI, S et al.Zeolites. 1987, Vol 7, Num 6, pp 522-527, issn 0144-2449Article