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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 37, 1979 - Issue 6
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Original Articles

Calculation of the entropy of liquid chlorine and bromine by computer simulation

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Pages 1765-1772 | Received 29 Sep 1978, Published online: 23 Aug 2006

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ATHANASSIOSZ. PANAGIOTOPOULOS. (2002) Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble. Molecular Physics 100:1, pages 237-246.
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Lymari Nadal & Gustavo E. López. (2000) Application of the J-walking formalism to the test particle method: adsorption isotherms for atomic monolayers. Molecular Physics 98:14, pages 905-909.
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PAWEL BRYK ANDRZEJ PATRYKIEJEW OREST PIZIO STEFAN SOKOLOWSKI. (1997) The chemical potential of Lennard-Jones associating fluids from osmotic Monte Carlo simulations. Molecular Physics 92:6, pages 949-956.
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ThomasC. Beutler & WilfredF. Van Gunsteren. (1994) Molecular Dynamics Simulations With First Order Coupling to a Bath of Constant Chemical Potential. Molecular Simulation 14:1, pages 21-34.
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G. Galassi & D.J. Tildesley. (1994) Phase Diagrams of Diatomic Molecules Using the Gibbs Ensemble Monte Carlo Method. Molecular Simulation 13:1, pages 11-24.
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Manoj Mehta & DavidA. Kofke. (1993) Implementation of the Gibbs ensemble using a thermodynamic model for one of the coexisting phases. Molecular Physics 79:1, pages 39-52.
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Bohumil Tříska & Tomáš Boublík. (1992) The chemical potential of non-spherical solute in the infinitely diluted mixture. Molecular Physics 76:1, pages 113-125.
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Seung Do Hong, Byoung Jip Yoon & Mu Shik Jhon. (1992) Calculation of excess free energy from averaged acceptance ratio in Monte Carlo simulation for hard sphere and hard dumbbell fluids. Molecular Physics 75:2, pages 355-361.
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G.L. Deitrick, L.E. Scriven & H.T. Davis. (1992) Efficient Test Molecule Sampling in Molecular Simulation. Molecular Simulation 8:3-5, pages 239-247.
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J.J. Morales & K. Singer. (1991) Path integral simulation of the free energy of (Lennard-Jones) neon. Molecular Physics 73:4, pages 873-880.
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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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R.E. Randelman, GaryS. Grest & M. Radosz. (1989) Monte Carlo Simulations of the Chemical Potential and Free Energy for Trimer and Hexamer Rings. Molecular Simulation 2:1-2, pages 69-88.
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K.S. Shing, K.E. Gubbins & K. Lucas. (1988) Henry constants in non-ideal fluid mixtures. Molecular Physics 65:5, pages 1235-1252.
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DavidA. Kofke & EduardoD. Glandt. (1988) Monte Carlo simulation of multicomponent equilibria in a semigrand canonical ensemble. Molecular Physics 64:6, pages 1105-1131.
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A.Z. Panagiotopoulos, N. Quirke, M. Stapleton & D.J. Tildesley. (1988) Phase equilibria by simulation in the Gibbs ensemble. Molecular Physics 63:4, pages 527-545.
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Uwe Heinbuch & Johann Fischer. (1987) On the Application of Widom's Test Particle Method to Homogeneous and Inhomogeneous Fluids. Molecular Simulation 1:1-2, pages 109-120.
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AthanassiosZ. Panagiotopoulos. (1987) Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble. Molecular Physics 61:4, pages 813-826.
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Mihaly Mezei. (1987) Grand-canonical ensemble Monte Carlo study of dense liquid. Molecular Physics 61:3, pages 565-582.
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Michael Bohn, Berthold Saager, Klaus Holzapfel & Johann Fischer. (1986) Studies on phase equilibria of two-centre Lennard-Jones fluids. Molecular Physics 59:3, pages 433-440.
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Johann Fischer & Michael Bohn. (1986) The Haar-Shenker-Kohler equation. Molecular Physics 58:2, pages 395-399.
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S. Gupta & J.E. Coon. (1986) Structure and thermodynamics of molecular liquid mixtures. Molecular Physics 57:5, pages 1049-1061.
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B. Guillot & Y. Guissani. (1985) Investigation of the chemical potential by molecular dynamics simulation. Molecular Physics 54:2, pages 455-465.
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Mihaly Mezei. (1982) Excess free energy of different water models computed by Monte Carlo methods. Molecular Physics 47:6, pages 1307-1315.
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J.G. Powles, W.A.B. Evans & N. Quirke. (1982) Non-destructive molecular-dynamics simulation of the chemical potential of a fluid. Molecular Physics 46:6, pages 1347-1370.
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K.S. Shing & K.E. Gubbins. (1982) The chemical potential in dense fluids and fluid mixtures via computer simulation. Molecular Physics 46:5, pages 1109-1128.
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M. Wojcik, K.E. Gubbins & J.G. Powles. (1982) The thermodynamics of symmetric two centre Lennard-Jones liquids. Molecular Physics 45:6, pages 1209-1225.
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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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K.S. Shing & K.E. Gubbins. (1981) The chemical potential from computer simulation. Molecular Physics 43:3, pages 717-721.
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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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G. Jacucci & N. Quirke. (1980) Monte Carlo calculation of the free energy difference between hard and soft core diatomic liquids. Molecular Physics 40:4, pages 1005-1009.
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