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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 47, 1982 - Issue 2
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Original Articles

Numerical solution of the RISM equations for the site-site 12-6 potential

Pages 435-442 | Received 12 Feb 1982, Accepted 10 May 1982, Published online: 22 Aug 2006

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D.R. Kuespert, V. Muralidharan & M.D. Donohue. (1995) Microstructure and phase behaviour of a mixed-dimer amphiphile. Molecular Physics 86:2, pages 201-223.
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Tamás Radnai, Imre Bakó, Pál Jedlovszky & Gábor Pálinkás. (1994) A reverse Monte Carlo and RISM integral equation study of liquid nitrogen. Molecular Physics 83:3, pages 459-470.
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T. Bausenwein, H. Bertagnolli, D. Gutwerk, K. Tödheide & P. Chieux. (1992) The structure of fluid carbon dioxide by neutron diffraction at high pressure and by RISM calculations. Molecular Physics 76:1, pages 127-141.
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M.-E. Boudh-Hir, G. Aloisi & R. Guidelli. (1990) Reformulation of the site-site interaction theory for molecular fluids. Molecular Physics 71:5, pages 945-957.
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D.B. McGuigan, M. Lupkowski, D.M. Paquet & P.A. Monson. (1989) Phase diagrams of interaction site fluids. Molecular Physics 67:1, pages 33-52.
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K.J. Fraser, L.A. Dunn & GaryP. Morriss. (1987) An integral equation study of liquid acetonitrile. Molecular Physics 61:3, pages 775-782.
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GaryP. Morriss & DennisJ. Isbister. (1986) Mixtures of polar and nonpolar molecules. Molecular Physics 59:5, pages 911-919.
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GaryP. Morriss & David MacGowan. (1986) Solution of the SSOZ equation for molecules of arbitrary symmetry. Molecular Physics 58:4, pages 745-761.
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PeterJ. Rossky & RichardA. Chiles. (1984) A complete integral equation formulation in the interaction site formalism. Molecular Physics 51:3, pages 661-674.
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GaryP. Morriss & PeterA. Monson. (1983) Integral equations for polar molecular fluids. Molecular Physics 48:1, pages 181-191.
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Articles from other publishers (28)

J Solana. 2013. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids.
Jean-Pierre Hansen & Ian R. McDonald. 2013. Theory of Simple Liquids. Theory of Simple Liquids 455 510 .
E. L. Ratkova. (2012) A semiempirical model for estimating the hydration free energy of neutral nonpolar compounds. Russian Journal of Physical Chemistry A 86:10, pages 1557-1562.
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M. Marucho, C. T. Kelley & B. Montgomery Pettitt. (2008) Solutions of the Optimized Closure Integral Equation Theory:  Heteronuclear Polyatomic Fluids. Journal of Chemical Theory and Computation 4:3, pages 385-396.
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M. Marucho & B. Montgomery Pettitt. (2007) Optimized theory for simple and molecular fluids. The Journal of Chemical Physics 126:12.
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Jean-Pierre Hansen & Ian R. McDonald. 2006. Theory of Simple Liquids. Theory of Simple Liquids 341 392 .
Gennady N. Chuev & Maxim V. Fedorov. (2004) Wavelet algorithm for solving integral equations of molecular liquids. A test for the reference interaction site model. Journal of Computational Chemistry 25:11, pages 1369-1377.
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Ayako Furuhama & Seiichiro Ten-no. (2004) Integral equation theory of distributed partial wave basis: application to molecular liquids. Chemical Physics Letters 384:4-6, pages 376-381.
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Tomonari Sumi, Takashi Imai & Fumio Hirata. (2001) Integral equations for molecular fluids based on the interaction site model: Density-functional formulation. The Journal of Chemical Physics 115:14, pages 6653-6662.
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Yu. V. Kalyuzhnyi & P.T. Cummings. 2000. Equations of State for Fluids and Fluid Mixtures. Equations of State for Fluids and Fluid Mixtures 169 254 .
Fernando Bresme, José L. F. Abascal & Enrique Lomba. (1996) Theory and simulation of central force model potentials: Application to homonuclear diatomic molecules. The Journal of Chemical Physics 105:22, pages 10008-10021.
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Hikmat Farhat & Byung Chan Eu. (1996) Integral equation theory of molecular liquids: Kirkwood hierarchy approach to diatomic and polyatomic liquids. The Journal of Chemical Physics 104:1, pages 300-313.
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Leo Lue & Daniel Blankschtein. (1995) Application of integral equation theories to predict the structure of diatomic fluids. The Journal of Chemical Physics 102:10, pages 4203-4216.
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C. Martín, M. Lombardero, M. Alvarez & E. Lomba. (1995) Atomic structure factors from a molecular integral equation theory: An application to homonuclear diatomic fluids. The Journal of Chemical Physics 102:5, pages 2092-2097.
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Lloyd L. Lee & Henry D. Cochran. 1994. Supercritical Fluids. Supercritical Fluids 365 383 .
M. Madhusoodanan, C. Satheesan Babu & B. L. Tembe. (1993) SSOZ-HNC and SSOZ-PY integral equation studies of the structure of three-site polar fluids. Proceedings / Indian Academy of Sciences 105:1, pages 31-45.
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A. Perera, F. Sokolić & M. Moreau. (1992) Fluids of linearly fused Lennard-Jones sites: Comparison between simulations and integral equation theories. The Journal of Chemical Physics 97:3, pages 1969-1979.
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M.-E. Boudh-Hir. (1992) Pair-distribution function of a non-polar molecular fluid based on the site-site interaction model. Physica A: Statistical Mechanics and its Applications 182:1-2, pages 33-46.
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P. A. Monson & G. P. Morriss. 1990. Advances in Chemical Physics. Advances in Chemical Physics 451 550 .
Rong-Song Wu, Lloyd L. Lee & Jeffrey H. Harwell. (1989) Solution of reference interaction site model for mixtures of short-chain polyatomic molecules. The Journal of Chemical Physics 91:7, pages 4254-4264.
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A. Patrykiejew & S. Sokolowski. (1989) Statistical mechanics of adsorption of polyatomic molecules on solid surfaces. Advances in Colloid and Interface Science 30, pages 203-334.
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Lloyd L. Lee. 1988. Molecular Thermodynamics of Nonideal Fluids. Molecular Thermodynamics of Nonideal Fluids 395 422 .
Lloyd L. Lee. 1988. Molecular Thermodynamics of Nonideal Fluids. Molecular Thermodynamics of Nonideal Fluids 133 183 .
M. Lupkowski & P.A. Monson. (1987) Solution of the site-site Ornstein-Zernike equation in the hypernetted chain approximation near the vapor-liquid critical point. Chemical Physics Letters 136:3-4, pages 258-262.
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R T Arlinghaus & P T Cummings. (1987) The role of the pair potential in determining the structure factor of liquid rubidium. Journal of Physics F: Metal Physics 17:4, pages 797-807.
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Dominic A. Zichi & Peter J. Rossky. (1986) Molecular conformational equilibria in liquids. The Journal of Chemical Physics 84:3, pages 1712-1723.
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. 1986. Theory of Simple Liquids. Theory of Simple Liquids 509 526 .
Lloyd Lieh-shen Lee. (1985) The BBGKY Equation in the Interaction Site Model for Polyatomic Molecular Fluids. Bulletin of the Chemical Society of Japan 58:2, pages 710-714.
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