Simulation of Liquids

Allen M P and Tildesley D J 1987 Computer Simulation of Liquids (Oxford Clarendon)... [Pg.2279]

Billeter J and Pelcovits R 1998 Simulations of liquid crystals Comput. Phys. 12AA0-8... [Pg.2280]

Alfe D and Gillan M J 1998 First-principles simulations of liquid Fe-S under Earth s core conditions Phys. Rev. B 58 8248-56... [Pg.2289]

Allen, M.P., Tildesley, D.J. Computer Simulation of Liquids. Clarendon Press, Oxford (1987)... [Pg.28]

Postma, J.P.M., Berendsen, H.J.C., Straatsma, T.P. Intramolecular vibrations from molecular dynamics simulations of liquid water. Journal de Physique C7 (1984) 31-40. [Pg.30]

M. P. Allen and D. J. Tildesley. Computer Simulation of Liquids. Oxford University Press, New York, New York, 1990. [Pg.258]

Force Field Models for the Simulation of Liquid Water... [Pg.234]

Stillinger F H and A Rahman 1974. Improved Simulation of Liquid Water by Molecular Dynamics. Journal of Chemical Physics 60 1545-1557. [Pg.269]

Fig. 6.2 Radial distribution function determined from a lOOps molecular dynamics simulation of liquid argon at a temperature of 100K and a density of 1.396gcm. ...

Rothlisberger and M Parrinello 1997. Ab Initio Molecular Dynamics Simulation of Liquid Hydroge Fluoride. Journal of Chemical Physics 106 4658-4664. [Pg.653]

Lor simulations of liquids, the generally accepted upper limit for the ratio is 0.0001. Lor proteins and macromolecules, this number... [Pg.86]

MP Allen, DJ Tildesley. Computer Simulations of Liquids. New York Oxford Univ Press, 1989. [Pg.66]

WW Wood, LR Parker. In G Ciccotti, D Lrenkel, IR McDonald, eds. Simulations of Liquids and Solids. Amsterdam North-Holland, 1987. [Pg.114]

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