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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 80, 1993 - Issue 5
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Original Articles

Eight physical systems of thermodynamics, statistical mechanics, and computer simulations

H.W. Graben Kinard Laboratory of Physics and Astronomy Clemson University, Clemson, South Carolina, 29634-1911, USA
&
John R. Ray Kinard Laboratory of Physics and Astronomy Clemson University, Clemson, South Carolina, 29634-1911, USA
Pages 1183-1193 | Received 27 Jan 1993, Accepted 01 Mar 1993, Published online: 26 Oct 2007

Citations (30)

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Rolf Lustig. (2012) Statistical analogues for fundamental equation of state derivatives. Molecular Physics 110:24, pages 3041-3052.
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Rolf Lustig. (2011) Direct molecular NVT simulation of the isobaric heat capacity, speed of sound and Joule–Thomson coefficient. Molecular Simulation 37:06, pages 457-465.
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C. Heath Turner, John K. Brennan, Martin Lísal, William R. Smith, J. Karl Johnson & Keith E. Gubbins. (2008) Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review†. Molecular Simulation 34:2, pages 119-146.
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MARTIN LÍSAL, WILLIAMR. SMITH & KAREL AIM. (2003) Direct molecular-level Monte Carlo simulation of Joule—Thomson processes. Molecular Physics 101:18, pages 2875-2884.
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TAMAS KRISTOF JANOS LISZI. (1998) Alternative Gibbs ensemble Monte Carlo implementations: application in mixtures. Molecular Physics 94:3, pages 519-525.
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Articles from other publishers (25)

Giovanni Garberoglio, Christof Gaiser, Roberto M. Gavioso, Allan H. Harvey, Robert Hellmann, Bogumił Jeziorski, Karsten Meier, Michael R. Moldover, Laurent Pitre, Krzysztof Szalewicz & Robin Underwood. (2023) Ab Initio Calculation of Fluid Properties for Precision Metrology . Journal of Physical and Chemical Reference Data 52:3.
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Isabel Nitzke & Jadran Vrabec. (2023) Numerical Discrimination of Thermodynamic Monte Carlo Simulations in All Eight Statistical Ensembles. Journal of Chemical Theory and Computation 19:12, pages 3460-3468.
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Philipp Ströker & Karsten Meier. (2023) Classical statistical mechanics in the and ensembles . Physical Review E 107:6.
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Allan H. Harvey, Jan Hrubý & Karsten Meier. (2023) Improved and Always Improving: Reference Formulations for Thermophysical Properties of Water. Journal of Physical and Chemical Reference Data 52:1.
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Philipp Ströker & Karsten Meier. (2022) Rigorous expressions for thermodynamic properties in the NpH ensemble . Physical Review E 105:3.
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Philipp Ströker & Karsten Meier. (2021) Classical statistical mechanics in the grand canonical ensemble. Physical Review E 104:1.
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Philipp Ströker, Robert Hellmann & Karsten Meier. (2021) Systematic formulation of thermodynamic properties in the ensemble . Physical Review E 103:2.
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Caroline Desgranges & Jerome Delhommelle. (2020) The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble. The Journal of Chemical Physics 153:9.
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Mehdi Simiari, Ramin Roozehdar Mogaddam, Meysam Ghaebi, Elham Farshid & Mohammad Ebrahim Zomorrodian. (2016) Assessment of Nanothermodynamic Properties of Ferromagnetic Nanocluster in Subdivision Potential Approach and Magnetic Field. Journal of Applied Mathematics and Physics 04:12, pages 2233-2246.
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A. Porporato. (2014) Dual structure of thermodynamics. Physical Review E 89:4.
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Silvano Romano. (2013) A comment on the paper “Systems with variable energy, volume and number of particles: Evaluation of partition function and thermodynamic quantities” by I.M. Stanković, V.M. Marković, and Lj.Z. Kolar-Anić [1]. Russian Journal of Physical Chemistry A 87:12, pages 2112-2112.
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R. Chandrashekar & J. Segar. (2013) Adiabatic thermostatistics of the two parameter entropy and the role of Lambert’s -function in its applications . Physica A: Statistical Mechanics and its Applications 392:19, pages 4299-4315.
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R Chandrashekar & S S Naina Mohammed. (2011) A class of energy-based ensembles in Tsallis statistics. Journal of Statistical Mechanics: Theory and Experiment 2011:05, pages P05018.
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Fernando A. Escobedo. (2006) Simulation of the density of states in isothermal and adiabatic ensembles. Physical Review E 73:5.
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Fernando A. Escobedo. (2005) A unified methodological framework for the simulation of nonisothermal ensembles. The Journal of Chemical Physics 123:4.
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John R. Ray. 2005. Handbook of Materials Modeling. Handbook of Materials Modeling 729 743 .
William R. Smith & Martin Lísal. (2002) Direct Monte Carlo simulation methods for nonreacting and reacting systems at fixed total internal energy or enthalpy. Physical Review E 66:1.
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Fernando A. Escobedo. (2001) Simulation of bulk, confined, and polydisperse systems. I. A unified methodological framework. The Journal of Chemical Physics 115:12, pages 5642-5652.
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John R. Ray. 1999. Computer Simulation Studies in Condensed-Matter Physics XI. Computer Simulation Studies in Condensed-Matter Physics XI 180 185 .
Rolf Lustig. (1998) Microcanonical Monte Carlo simulation of thermodynamic properties. The Journal of Chemical Physics 109:20, pages 8816-8828.
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Fernando M.S. Silva Fernandes & F.F. Martins Freitas. (1997) Hypervolume Monte Carlo method at constant pressure. Computer Physics Communications 102:1-3, pages 161-165.
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Martial Mazars. (1996) Statistical physics of the freely jointed chain. Physical Review E 53:6, pages 6297-6319.
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Patrick J. Fay, John R. Ray & Ralph J. Wolf. (1995) Detailed balance methods for chemical potential determination. The Journal of Chemical Physics 103:17, pages 7556-7561.
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P. J. Fay, J. R. Ray & R. J. Wolf. 1995. Computer Simulation Studies in Condensed-Matter Physics VIII. Computer Simulation Studies in Condensed-Matter Physics VIII 159 163 .
Patrick J. Fay, John R. Ray & Ralph J. Wolf. (1994) Detailed balance method for chemical potential determination in Monte Carlo and molecular dynamics simulations. The Journal of Chemical Physics 100:3, pages 2154-2160.
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