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195 related items for PubMed ID: 15740336

  • 1. Isomolar semigrand ensemble molecular dynamics: development and application to liquid-liquid equilibria.
    Morrow TI, Maginn EJ.
    J Chem Phys; 2005 Feb 01; 122(5):54504. PubMed ID: 15740336
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  • 2. Isomolar-semigrand ensemble molecular dynamics: application to vapor-liquid equilibrium of the mixture methane/ethane.
    Morrow TI, Maginn EJ.
    J Chem Phys; 2006 Nov 28; 125(20):204712. PubMed ID: 17144728
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  • 3. Direct calculation of solid-liquid coexistence points of a binary mixture by thermodynamic integration.
    Apte PA, Kusaka I.
    J Chem Phys; 2005 Nov 15; 123(19):194503. PubMed ID: 16321096
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  • 4. Mie potentials for phase equilibria calculations: application to alkanes and perfluoroalkanes.
    Potoff JJ, Bernard-Brunel DA.
    J Phys Chem B; 2009 Nov 05; 113(44):14725-31. PubMed ID: 19824622
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  • 7. Molecular simulations of aqueous electrolyte solubility: 1. The expanded-ensemble osmotic molecular dynamics method for the solution phase.
    Lísal M, Smith WR, Kolafa J.
    J Phys Chem B; 2005 Jul 07; 109(26):12956-65. PubMed ID: 16852608
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  • 10. Phase coexistence in heterogeneous porous media: a new extension to Gibbs ensemble Monte Carlo simulation method.
    Puibasset J.
    J Chem Phys; 2005 Apr 01; 122(13):134710. PubMed ID: 15847492
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  • 12. Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids.
    Ahmed A, Sadus RJ.
    J Chem Phys; 2009 Nov 07; 131(17):174504. PubMed ID: 19895022
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  • 13. Molecular modeling of phase behavior and microstructure of acetone-chloroform-methanol binary mixtures.
    Kamath G, Georgiev G, Potoff JJ.
    J Phys Chem B; 2005 Oct 20; 109(41):19463-73. PubMed ID: 16853515
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  • 14. Molecular dynamics simulation with weak coupling to heat and material baths.
    Eslami H, Mojahedi F, Moghadasi J.
    J Chem Phys; 2010 Aug 28; 133(8):084105. PubMed ID: 20815558
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  • 15. Phase and interface behaviors in type-I and type-V Lennard-Jones mixtures: theory and simulations.
    Mejía A, Pàmies JC, Duque D, Segura H, Vega LF.
    J Chem Phys; 2005 Jul 15; 123(3):34505. PubMed ID: 16080742
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  • 16. Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.
    Lubna N, Kamath G, Potoff JJ, Rai N, Siepmann JI.
    J Phys Chem B; 2005 Dec 22; 109(50):24100-7. PubMed ID: 16375402
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  • 17. Phase equilibria of molecular fluids via hybrid Monte Carlo Wang-Landau simulations: applications to benzene and n-alkanes.
    Desgranges C, Delhommelle J.
    J Chem Phys; 2009 Jun 28; 130(24):244109. PubMed ID: 19566144
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  • 18. Multiple histogram reweighting method for the surface tension calculation.
    Ghoufi A, Goujon F, Lachet V, Malfreyt P.
    J Chem Phys; 2008 Apr 21; 128(15):154718. PubMed ID: 18433269
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  • 20. Molecular dynamics simulation in the grand canonical ensemble.
    Eslami H, Müller-Plathe F.
    J Comput Chem; 2007 Jul 30; 28(10):1763-73. PubMed ID: 17342717
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