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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 58, 1986 - Issue 3
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Original Articles

The limitations of isotropic site-site potentials to describe a N2-N2 intermolecular potential surface

S.L. Price University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, England
Pages 651-654 | Received 24 Jan 1986, Accepted 07 Feb 1986, Published online: 22 Aug 2006

Citations (23)

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E.P. VAN KLAVEREN, J. P. J. MICHELS & J.A. SCHOUTEN. (1999) The change in phase behaviour and orientational order of solid N2 at high pressure under the influence of Ar: a simulation study. Molecular Physics 96:11, pages 1613-1622.
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I. NOBELI, S.L. PRICE & R.J. WHEATLEY. (1998) Use of molecular overlap to predict intermolecular repulsion in N ··· H—O hydrogen bonds. Molecular Physics 95:3, pages 525-537.
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Dominique Douguet, Roland J.-M. Pellenq, Anne Boutin, AlainH. Fuchs & David Nicholson. (1996) The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study. Molecular Simulation 17:4-6, pages 255-288.
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SarahL. Price. (1996) Anisotropic atom-atom potentials. Philosophical Magazine B 73:1, pages 95-106.
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H. Schindler, R. Vogelsang, V. Staemmler, M.A. Siddiqi & P. Svejda. (1993) Ab initio intermolecular potentials of methane, nitrogen and methane + nitrogen and their use in Monte Carlo simulations of fluids and fluid mixtures. Molecular Physics 80:6, pages 1413-1429.
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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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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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S.L. Price. (1987) The structure of the homonuclear diatomic solids revisited. Molecular Physics 62:1, pages 45-63.
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Articles from other publishers (14)

John B. O. MitchellSarah L. PriceMaurice LeslieDavid ButtarRon J. Roberts. (2001) Anisotropic Repulsion Potentials for Cyanuric Chloride (C 3 N 3 Cl 3 ) and Their Application to Modeling the Crystal Structures of Azaaromatic Chlorides . The Journal of Physical Chemistry A 105:43, pages 9961-9971.
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A. V. Larin & D. P. Vercauteren. (2001) Cumulative coordinates for approximations of high‐order atomic multipole moments in aluminosilicate and aluminophosphate sieves*. International Journal of Quantum Chemistry 83:2, pages 70-85.
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Sarah L. Price. 2000. Reviews in Computational Chemistry. Reviews in Computational Chemistry 225 289 .
Wijnand T. M. Mooij,*, Frans B. van Duijneveldt, Jeanne G. C. M. van Duijneveldt-van de Rijdt & Bouke P. van Eijck. (1999) Transferable ab Initio Intermolecular Potentials. 1. Derivation from Methanol Dimer and Trimer Calculations. The Journal of Physical Chemistry A 103:48, pages 9872-9882.
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T. A. Beu, U. Buck, J. G. Siebers & R. J. Wheatley. (1997) A new intermolecular potential for hydrazine clusters: Structures and spectra. The Journal of Chemical Physics 106:17, pages 6795-6805.
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A. Mulder, J. P. J. Michels & J. A. Schouten. (1996) The importance of the anisotropic energy term for the structure of the solid phases of nitrogen. The Journal of Chemical Physics 105:8, pages 3235-3244.
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A. J. Stone & C.‐S. Tong. (2004) Anisotropy of atom–atom repulsions. Journal of Computational Chemistry 15:12, pages 1377-1392.
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Bogdan Kuchta, R. D. Etters & Richard LeSar. (1992) The influence of molecular shapes on the relative stability of solid phases: Application to N2O. The Journal of Chemical Physics 97:8, pages 5662-5668.
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Dominique Levesque & Jean Jacques Weis. 1995. The Monte Carlo Method in Condensed Matter Physics. The Monte Carlo Method in Condensed Matter Physics 121 204 .
Brian Hudson & John N. Murrell. (1991) An examination of the site-site representation of the He-H2and He-N2 potentials. Journal of Molecular Structure: THEOCHEM 227, pages 193-211.
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S. L. Price. 1991. Computer Simulation in Materials Science. Computer Simulation in Materials Science 183 208 .
Sarah L. Price. 1989. Computer Modelling of Fluids Polymers and Solids. Computer Modelling of Fluids Polymers and Solids 29 54 .
U. Dinur & A. T. Hagler. (1989) Determination of atomic point charges and point dipoles from the Cartesian derivatives of the molecular dipole moment and second moments, and from energy second derivatives of planar dimers. II. Applications to model systems. The Journal of Chemical Physics 91:5, pages 2959-2970.
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R. Kantor & T. Boublík. (1988) Monte Carlo study of the Kihara rod-like molecule system. Czechoslovak Journal of Physics 38:3, pages 321-328.
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