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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 43, 1981 - Issue 6
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Original Articles

Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules

R.M. Lynden-Bell Department of Theoretical Chemistry, University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, England
&
I.R. McDonald Department of Physical Chemistry, Lensfield Road, Cambridge, CB2 1EP, England
Pages 1429-1440 | Received 19 Mar 1981, Accepted 22 May 1981, Published online: 23 Aug 2006

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R.M. Lynden-Bell. (2015) Using simulation in the 1980s. Molecular Physics 113:17-18, pages 2391-2392.
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M. IN HET PANHUIS C. H. PATTERSON R. M. LYNDEN-BELL. (1998) A molecular dynamics study of carbon dioxide in water: diffusion, structure and thermodynamics. Molecular Physics 94:6, pages 963-972.
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CARL MCBRIDE MARK R. WILSON JUDITH A. K. HOWARD. (1998) Molecular dynamics simulations of liquid crystal phases using atomistic potentials. Molecular Physics 93:6, pages 955-964.
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A.P. Blokhin & M.F. Gelin. (1996) Effect of the intensity of collisions on the orientational relaxation of spherical top molecules. Molecular Physics 87:2, pages 455-468.
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M.R. Wilson. (1995) The phase behaviour of short chain molecules: a computer simulation study. Molecular Physics 85:1, pages 193-205.
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A. Brodka & T.W. Zerda. (1992) A molecular dynamics simulation of sulphur hexafluoride. Molecular Physics 76:1, pages 103-112.
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Aatto Laaksonen & Peter Stilbs. (1991) Molecular dynamics and NMR study of methane-water systems. Molecular Physics 74:4, pages 747-764.
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WilliamA. Steele. (1987) A theoretical approach to the calculation of time-correlation functions of several variables. Molecular Physics 61:4, pages 1031-1043.
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M. Schoen, C. Hoheisel & O. Beyer. (1986) Liquid CH4, liquid CF4 and the partially miscible liquid mixture CH4/CF4 . Molecular Physics 58:4, pages 699-709.
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M.P. Allen & I.C.H. Cunningham. (1986) A computer simulation study of idealized model tetrahedral molecules. Molecular Physics 58:3, pages 615-625.
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R.M. Lynden-Bell, P.A. Madden, D.T. Stott & R.J. Tough. (1986) Reorientational motion in liquid MeCN and its relationship to the properties of the intermolecular torques. Molecular Physics 58:1, pages 193-212.
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R.M. Lynden-Bell, J. Talbot, D.J. Tildesley & W.A. Steele. (1985) Reorientation of N2 adsorbed on graphite in various computer simulated phases. Molecular Physics 54:1, pages 183-195.
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Duncan M.F. Edwards, PaulA. Madden & IanR. McDonald. (1984) A computer simulation study of the dielectric properties of a model of methyl cyanide. Molecular Physics 51:5, pages 1141-1161.
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H.J. Böhm, R.M. Lynden-Bell, P.A. Madden & I.R. McDonald. (1984) Molecular motion in a model of liquid acetonitrile. Molecular Physics 51:3, pages 761-777.
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Heiner Versmold & Uwe Zimmermann. (1983) Depolarized Rayleigh scattering. Molecular Physics 50:1, pages 65-75.
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D.J. Tildesley & P.A. Madden. (1983) Time correlation functions for a model of liquid carbon disulphide. Molecular Physics 48:1, pages 129-152.
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R.W. Impey, P.A. Madden & I.R. McDonald. (1982) Spectroscopic and transport properties of water. Molecular Physics 46:3, pages 513-539.
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IanR. McDonald, DavidG. Bounds & MichaelL. Klein. (1982) Molecular dynamics calculations for the liquid and cubic plastic crystal phases of carbon tetrachloride. Molecular Physics 45:3, pages 521-542.
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Th. Kirchhoff, H. Löwen & R. Klein. (1996) Dynamical correlations in suspensions of charged rodlike macromolecules. Physical Review E 53:5, pages 5011-5022.
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A. Papazyan & M. Maroncelli. (1995) Rotational dielectric friction and dipole solvation: Tests of theory based on simulations of simple model solutions. The Journal of Chemical Physics 102:7, pages 2888-2919.
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A Chahid, F J Bermejo, E Enciso, M G Hernandez & J L Martinez. (1992) Single-particle dynamics of liquid CCl 4 : a comparison of molecular dynamics and neutron quasi-elastic scattering results . Journal of Physics: Condensed Matter 4:5, pages 1213-1231.
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Omar A. Karim & A. D. J. Haymet. (1990) Dynamics of an ammonium ion in water: Molecular dynamics simulation. The Journal of Chemical Physics 93:8, pages 5961-5966.
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Toshiko Katō, Katsunosuke Machida, Motohisa Oobatake & Soichi Hayashi. (1988) Ionic dynamics in computer simulated molten LiNO3. I. Translational and reorientational motion. The Journal of Chemical Physics 89:5, pages 3211-3221.
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