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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 36, 1978 - Issue 1
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Original Articles

The description of bimolecular potentials, forces and torques: the S and V function expansions

A.J. Stone University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW
Pages 241-256 | Received 22 Sep 1977, Published online: 23 Aug 2006

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Robert A. Skutnik, Jan-Christoph Eichler, Marco G. Mazza & Martin Schoen. (2021) The temperature dependence of the helical pitch in a cholesteric liquid crystal. Molecular Physics 119:15-16.
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Lara Querciagrossa, Silvia Orlandi, Matteo Ricci, Alberto Arcioni & Roberto Berardi. (2019) Chiral Gay–Berne model for molecular dynamics computer simulations. Molecular Crystals and Liquid Crystals 684:1, pages 66-81.
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Martin Torheyden & Georg Jansen. (2006) A new potential energy surface for the water dimer obtained from separate fits of electrostatic, induction, dispersion and exchange energy contributions. Molecular Physics 104:13-14, pages 2101-2138.
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Martin A. Bates. (2003) Modelling the chemically induced liquid crystalline phases in mixtures of disc-shaped mesogens: the phase diagram of quadrupolar Gay-Berne discs revisited. Liquid Crystals 30:2, pages 181-190.
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P. J. Le Masurier, G. R. Luckhurst & G. Saielli. (2001) Monte Carlo lattice simulations of the elastic behaviour of nematic liquid crystals. Liquid Crystals 28:5, pages 769-778.
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Joachim Stelzer, Roberto Berardi & Claudio Zannoni. (2000) Flexoelectric Coefficients for Model Pear Shaped Molecules from Monte Carlo Simulations. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 352:1, pages 187-194.
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R. Memmer. (2000) Computer simulation of chiral liquid crystal phases VIII. Blue phases of the chiral Gay-Berne fluid. Liquid Crystals 27:4, pages 533-546.
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Tomonori Koda & Hatsuo Kimura. (1999) Theory and Simulation of the Successive Phase Transitions of Chiral Smectics. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 330:1, pages 573-580.
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G. R. LUCKHURST & S. ROMANO. (1999) Computer simulation study of a nematogenic lattice model based on an elastic energy mapping of the pair potential. Liquid Crystals 26:6, pages 871-884.
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SIMONC. McGROTHER, ALEJANDRO GIL-VILLEGAS & GEORGE JACKSON. (1998) The effect of dipolar interactions on the liquid crystalline phase transitions of hard spherocylinders with central longitudinal dipoles. Molecular Physics 95:3, pages 657-673.
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M. A. BATES & G. R. LUCKHURST. (1998) Computer simulation studies of anisotropic systems XXIX. Quadrupolar Gay-Berne discs and chemically induced liquid crystal phases. Liquid Crystals 24:2, pages 229-241.
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RichardJ. Wheatley. (1996) The solvation of sodium ions in water clusters: intermolecular potentials for Na+-H2O and H2O-H2O. Molecular Physics 87:5, pages 1083-1116.
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Christof Hättig & Bernd Artur Heß. (1994) Calculation of orientation-dependent double-tensor moments for Coulomb-type intermolecular interactions. Molecular Physics 81:4, pages 813-824.
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P. Pavlides & C.R.A. Catlow. (1993) Elastic constants and lattice vibrations of CO2 and C6H6 . Molecular Physics 79:5, pages 1025-1036.
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A. De Santis, A. Gregori & D. Rocca. (1993) Local order in liquid chlorine and the shape of g a-a(r) and S(K). Molecular Physics 79:3, pages 645-662.
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Claude Millot & AnthonyJ. Stone. (1992) Towards an accurate intermolecular potential for water. Molecular Physics 77:3, pages 439-462.
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P.M. Rodger, A.J. Stone & D.J. Tildesley. (1992) Anisotropic Site-Site Potentials in Molecular Dynamics. Molecular Simulation 8:3-5, pages 145-164.
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RichardJ. Wheatley & SarahL. Price. (1990) A systematic intermolecular potential method applied to chlorine. Molecular Physics 71:6, pages 1381-1404.
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RichardJ. Wheatley & SarahL. Price. (1990) An overlap model for estimating the anisotropy of repulsion. Molecular Physics 69:3, pages 507-533.
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P.W. Fowler, P. Lazzeretti & R. Zanasi. (1989) Anisotropic dispersion forces in methane mixtures. Molecular Physics 68:4, pages 853-865.
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SarahL. Price. (1988) Is the Isotropic Atom—Atom Model Potential Adequate?. Molecular Simulation 1:3, pages 135-156.
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P. Mark Rodger, AnthonyJ. Stone & DominicJ. Tildesley. (1988) The intermolecular potential of chlorine. Molecular Physics 63:2, pages 173-188.
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Masahiro Nakagawa. (1988) A molecular theoretical derivation of the Landau free energy of chiral smectic C liquid crystals. Liquid Crystals 3:1, pages 63-84.
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F.P. Ricci, D. Rocca & R. Vallauri. (1987) A Monte Carlo simulation study of liquid chlorine. Molecular Physics 60:6, pages 1245-1259.
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S.L. Price. (1986) The limitations of isotropic site-site potentials to describe a N2-N2 intermolecular potential surface. Molecular Physics 58:3, pages 651-654.
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S.L. Price, A.J. Stone & M. Alderton. (1984) Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry. Molecular Physics 52:4, pages 987-1001.
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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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S.L. Price & A.J. Stone. (1984) A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis. Molecular Physics 51:3, pages 569-583.
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D. Levesque, J.J. Weis & G.N. Patey. (1984) Fluids of Lennard-Jones spheres with dipoles and tetrahedral quadrupoles. Molecular Physics 51:2, pages 333-348.
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A. Toro-Labbe & J. Maruani. (1984) Symmetry-adapted expansion and stable-conformation minima of the interaction potential of the H2O … HF complex. Molecular Physics 51:2, pages 323-331.
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PeterA. Monson & WilliamA. Steele. (1983) On series expansions of orientation-dependent properties of pairs of non-spherical molecules. Molecular Physics 49:2, pages 251-274.
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S.L. Price & A.J. Stone. (1982) The anisotropy of the Cl2−Cl2 pair potential as shown by the crystal structure Evidence for intermolecular bonding or lone pair effects?. Molecular Physics 47:6, pages 1457-1470.
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R.L. Humphries, G.R. Luckhurst & S. Romano. (1981) Computer simulation studies of anisotropic systems. Molecular Physics 42:5, pages 1205-1217.
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S.L. Price & A.J. Stone. (1980) Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface. Molecular Physics 40:4, pages 805-822.
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R.J.A. Tough & A.J. Stone. (1979) Molecular light scattering—A spherical tensor approach. Molecular Physics 37:5, pages 1469-1488.
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R.M. Lynden-Bell. (1978) Coupling of vibrational and reorientational dephasing in mobile liquids. Molecular Physics 36:5, pages 1529-1537.
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