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531 related items for PubMed ID: 16674240

  • 1. A general perturbation approach for equation of state development: applications to simple fluids, ab initio potentials, and fullerenes.
    Paricaud P.
    J Chem Phys; 2006 Apr 21; 124(15):154505. PubMed ID: 16674240
    [Abstract] [Full Text] [Related]

  • 2. Prediction of the thermophysical properties of pure neon, pure argon, and the binary mixtures neon-argon and argon-krypton by Monte Carlo simulation using ab initio potentials.
    Nasrabad AE, Laghaei R, Deiters UK.
    J Chem Phys; 2004 Oct 01; 121(13):6423-34. PubMed ID: 15446941
    [Abstract] [Full Text] [Related]

  • 3. Thermodynamic properties of model solids with short-ranged potentials from Monte Carlo simulations and perturbation theory.
    Díez A, Largo J, Solana JR.
    J Phys Chem B; 2007 Aug 30; 111(34):10194-201. PubMed ID: 17683133
    [Abstract] [Full Text] [Related]

  • 4. Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an ab initio potential.
    Eskandari Nasrabad A, Laghaei R.
    J Chem Phys; 2006 Aug 28; 125(8):084510. PubMed ID: 16965032
    [Abstract] [Full Text] [Related]

  • 5. A global investigation of phase equilibria using the perturbed-chain statistical-associating-fluid-theory approach.
    Yelash L, Müller M, Paul W, Binder K.
    J Chem Phys; 2005 Jul 01; 123(1):014908. PubMed ID: 16035870
    [Abstract] [Full Text] [Related]

  • 6. Thermodynamic properties of van der Waals fluids from Monte Carlo simulations and perturbative Monte Carlo theory.
    Díez A, Largo J, Solana JR.
    J Chem Phys; 2006 Aug 21; 125(7):074509. PubMed ID: 16942353
    [Abstract] [Full Text] [Related]

  • 7. Performance evaluation of third-order thermodynamic perturbation theory and comparison with existing liquid state theories.
    Zhou S.
    J Phys Chem B; 2007 Sep 13; 111(36):10736-44. PubMed ID: 17713938
    [Abstract] [Full Text] [Related]

  • 8. Vapor-liquid nucleation of argon: exploration of various intermolecular potentials.
    McGrath MJ, Ghogomu JN, Tsona NT, Siepmann JI, Chen B, Napari I, Vehkamäki H.
    J Chem Phys; 2010 Aug 28; 133(8):084106. PubMed ID: 20815559
    [Abstract] [Full Text] [Related]

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  • 10. Simulation of chemical potentials and phase equilibria in two- and three-dimensional square-well fluids: finite size effects.
    Vörtler HL, Schäfer K, Smith WR.
    J Phys Chem B; 2008 Apr 17; 112(15):4656-61. PubMed ID: 18358019
    [Abstract] [Full Text] [Related]

  • 11. Examination of the excess thermodynamic properties of n-alkane binary mixtures: a molecular approach.
    dos Ramos MC, Blas FJ.
    J Phys Chem B; 2005 Jun 23; 109(24):12145-53. PubMed ID: 16852498
    [Abstract] [Full Text] [Related]

  • 12. Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment.
    Mognetti BM, Virnau P, Yelash L, Paul W, Binder K, Müller M, MacDowell LG.
    J Chem Phys; 2009 Jan 28; 130(4):044101. PubMed ID: 19191371
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  • 14. Chemical potentials and phase equilibria of Lennard-Jones mixtures: a self-consistent integral equation approach.
    Wilson DS, Lee LL.
    J Chem Phys; 2005 Jul 22; 123(4):044512. PubMed ID: 16095374
    [Abstract] [Full Text] [Related]

  • 15. Theoretical and computational investigations on thermodynamic properties, effective site diameters, and molecular free volume of carbon disulfide fluid.
    Eskandari Nasrabad A, Laghaei R.
    J Chem Phys; 2006 Oct 21; 125(15):154505. PubMed ID: 17059270
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  • 17. Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100.
    Müller EA, Mejía A.
    J Phys Chem B; 2011 Nov 10; 115(44):12822-34. PubMed ID: 21932822
    [Abstract] [Full Text] [Related]

  • 18. 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
    [Abstract] [Full Text] [Related]

  • 19. Self-diffusion coefficient of two-center Lennard-Jones fluids: molecular simulations and free volume theory.
    Nasrabad AE.
    J Chem Phys; 2009 Jan 14; 130(2):024503. PubMed ID: 19154034
    [Abstract] [Full Text] [Related]

  • 20. Phase behavior of dipolar fluids from a modified statistical associating fluid theory for potentials of variable range.
    Zhao H, McCabe C.
    J Chem Phys; 2006 Sep 14; 125(10):104504. PubMed ID: 16999538
    [Abstract] [Full Text] [Related]

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