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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 33, 1977 - Issue 6
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Original Articles

Thermodynamic and structural properties of liquids modelled by ‘2-Lennard-Jones centres’ pair potentials

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Pages 1757-1795 | Received 05 Nov 1976, Published online: 22 Aug 2006

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By M. P. NEAL, A. J. PARKER & C. M. CARE. (1997) A molecular dynamics study of a steric multipole model of liquid crystal molecular geometry. Molecular Physics 91:4, pages 603-624.
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J.B. van Tricht, H. Fredrikze & J. van der Laan. (1984) Neutron diffraction study of liquid carbon dioxide at two thermodynamic states. Molecular Physics 52:1, pages 115-127.
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TimothyE. Harbour & Maurice Rigby. (1982) The effect of molecular shape on dilute gas shear viscosity. Molecular Physics 45:4, pages 759-767.
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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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P.J. Grout & J.W. Leech. (1982) Lattice dynamics of crystalline carbon disulphide—revisited. Molecular Physics 45:1, pages 51-64.
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D.F. Coker & R.O. Watts. (1981) Chemical equilibria in mixtures of bromine and chlorine. Molecular Physics 44:6, pages 1303-1318.
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C.S. Murthy, K. Singer & I.R. McDonald. (1981) Interaction site models for carbon dioxide. Molecular Physics 44:1, pages 135-143.
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R.M. Lynden-Bell & I.R. McDonald. (1981) Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules. Molecular Physics 43:6, pages 1429-1440.
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Franz Vesely & WilliamA. Steele. (1981) Simulation of molecular orientational dynamics in a model polar fluid. Molecular Physics 43:6, pages 1357-1369.
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WilliamA. Steele. (1981) Perturbation theory for orientational time-correlation functions. Molecular Physics 43:1, pages 141-159.
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D.J. Tildesley & P.A. Madden. (1981) An effective pair potential for liquid carbon disulphide. Molecular Physics 42:5, pages 1137-1156.
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M. Lombardero, J.L.F. Abascal & S. Lago. (1981) Perturbation theory for polyatomic fluids. Molecular Physics 42:4, pages 999-1008.
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C.S. Murthy, K. Singer, M.L. Klein & I.R. McDonald. (1980) Pairwise additive effective potentials for nitrogen. Molecular Physics 41:6, pages 1387-1399.
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J.G. Powles. (1980) The liquid-vapour coexistence line by computer simulation à la Widom. Molecular Physics 41:4, pages 715-727.
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K. Kobashi & M.L. Klein. (1980) Lattice vibrations of solid α-F2 . Molecular Physics 41:3, pages 679-688.
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D.J. Tildesley. (1980) Perturbation theory for diatomic molecules using a non-spherical reference system. Molecular Physics 41:2, pages 341-360.
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E. Detyna, K. Singer, J.V.L. Singer & A.J. Taylor. (1980) Molecular dynamics of liquids modelled by ‘2-Lennard-Jones’ pair potentials. Molecular Physics 41:1, pages 31-54.
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C.S. Murthy, K. Singer, M.L. Klein & I.R. McDonald. (1980) Effect of changes in pair potential on the dynamical structure factor of molecular crystals. Molecular Physics 40:6, pages 1517-1521.
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P. Bosi, F. Cilloco & M.A. Ricci. (1980) Neutron diffraction study of liquid iodine. Molecular Physics 40:5, pages 1285-1291.
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RonaldJ. Emrich & William Steele. (1980) The quadrupole moment of chlorine. Molecular Physics 40:2, pages 469-475.
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N. Quirke, J.W. Perram & G. Jacucci. (1980) Perturbation theory for the two-centre Lennard-Jones fluid using a spherically averaged reference potential. Molecular Physics 39:6, pages 1311-1325.
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D.J. Tildesley, W.B. Streett & W.A. Steele. (1980) The mean squared force and mean squared torque in molecular liquids. Molecular Physics 39:5, pages 1169-1187.
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WilliamA. Steele & WilliamB. Streett. (1980) Computer simulations of dense molecular fluids. Molecular Physics 39:2, pages 279-298.
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S. Murad & K.E. Gubbins. (1980) Structure factor of liquid vanadium tetrachloride. Molecular Physics 39:1, pages 271-275.
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J.G. Powles & G. Rickayzen. (1979) Quantum corrections and the computer simulation of molecular fluids. Molecular Physics 38:6, pages 1875-1892.
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J.G. Powles, W.A.B. Evans, E. McGrath, K.E. Gubbins & S. Murad. (1979) A computer simulation for a simple model of liquid hydrogen chloride. Molecular Physics 38:3, pages 893-908.
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DavidJ. Adams, EvelineM. Adams & GrahamJ. Hills. (1979) The computer simulation of polar liquids. Molecular Physics 38:2, pages 387-400.
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O. Steinhauser & M. Neumann. (1979) Structure of liquid carbon disulphide: a molecular dynamics study. Molecular Physics 37:6, pages 1921-1939.
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S. Romano & K. Singer. (1979) Calculation of the entropy of liquid chlorine and bromine by computer simulation. Molecular Physics 37:6, pages 1765-1772.
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K. Singer, J.V.L. Singer & A.J. Taylor. (1979) Molecular dynamics of liquids modelled by ‘2-Lennard-Jones centres’ pair potentials. Molecular Physics 37:4, pages 1239-1262.
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J. Downs, K.E. Gubbins, S. Murad & C.G. Gray. (1979) Spherical harmonic expansion of the intermolecular site-site potential. Molecular Physics 37:1, pages 129-140.
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Claus Hoheisel & Ulrich Deiters. (1979) High pressure molecular dynamics of the partially miscible fluid mixture neon/krypton. Molecular Physics 37:1, pages 95-109.
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M. Neumann, F.J. Vesely, O. Steinhauser & P. Schuster. (1978) Solvation of large dipoles. Molecular Physics 35:3, pages 841-855.
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W.B. Streett, D.J. Tildesley & G. Saville. (1978) Multiple time-step methods in molecular dynamics. Molecular Physics 35:3, pages 639-648.
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E.B. Gill & D. Steele. (1977) The Raman spectrum of liquid chlorine. Molecular Physics 34:1, pages 231-239.
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