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576 related items for PubMed ID: 22894364

  • 1. Molecular simulation of the phase behavior of fluids and fluid mixtures using the synthetic method.
    Sadus RJ.
    J Chem Phys; 2012 Aug 07; 137(5):054507. PubMed ID: 22894364
    [Abstract] [Full Text] [Related]

  • 2. Determination of fluid-phase behavior using transition-matrix Monte Carlo: binary Lennard-Jones mixtures.
    Shen VK, Errington JR.
    J Chem Phys; 2005 Feb 08; 122(6):064508. PubMed ID: 15740389
    [Abstract] [Full Text] [Related]

  • 3. Molecular simulation of the vapor-liquid phase behavior of Lennard-Jones mixtures in porous solids.
    Brennan JK, Dong W.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2003 Mar 08; 67(3 Pt 1):031503. PubMed ID: 12689069
    [Abstract] [Full Text] [Related]

  • 4. Computer simulation of polymer networks: swelling by binary Lennard-Jones mixtures.
    Oyen E, Hentschke R.
    J Chem Phys; 2005 Aug 01; 123(5):054902. PubMed ID: 16108688
    [Abstract] [Full Text] [Related]

  • 5. 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
    [Abstract] [Full Text] [Related]

  • 6. A unified methodological framework for the simulation of nonisothermal ensembles.
    Escobedo FA.
    J Chem Phys; 2005 Jul 22; 123(4):044110. PubMed ID: 16095349
    [Abstract] [Full Text] [Related]

  • 7. Monte Carlo predictions of phase equilibria and structure for dimethyl ether + sulfur dioxide and dimethyl ether + carbon dioxide.
    Kamath G, Ketko M, Baker GA, Potoff JJ.
    J Chem Phys; 2012 Jan 28; 136(4):044514. PubMed ID: 22299898
    [Abstract] [Full Text] [Related]

  • 8. 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
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: comparison with flexible models.
    Galindo A, Vega C, Sanz E, MacDowell LG, de Miguel E, Blas FJ.
    J Chem Phys; 2004 Feb 22; 120(8):3957-68. PubMed ID: 15268561
    [Abstract] [Full Text] [Related]

  • 11. Critical point estimation of the Lennard-Jones pure fluid and binary mixtures.
    Pérez-Pellitero J, Ungerer P, Orkoulas G, Mackie AD.
    J Chem Phys; 2006 Aug 07; 125(5):054515. PubMed ID: 16942234
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 13. Phase equilibria in carbon dioxide expanded solvents: Experiments and molecular simulations.
    Houndonougbo Y, Jin H, Rajagopalan B, Wong K, Kuczera K, Subramaniam B, Laird B.
    J Phys Chem B; 2006 Jul 06; 110(26):13195-202. PubMed ID: 16805632
    [Abstract] [Full Text] [Related]

  • 14. 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
    [Abstract] [Full Text] [Related]

  • 15. 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
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

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  • 18. Phase and interfacial behavior of partially miscible symmetric Lennard-Jones binary mixtures.
    Diaz-Herrera E, Ramirez-Santiago G, Moreno-Razo JA.
    J Chem Phys; 2005 Nov 08; 123(18):184507. PubMed ID: 16292914
    [Abstract] [Full Text] [Related]

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  • 20. Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena.
    Leonardi E, D'Aguanno B, Angeli C.
    J Chem Phys; 2010 Mar 28; 132(12):124512. PubMed ID: 20370138
    [Abstract] [Full Text] [Related]

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