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191 related items for PubMed ID: 19173513

  • 1. Additive and nonadditive models of vapor-liquid equilibrium in CO2 from first principles.
    Oakley MT, Wheatley RJ.
    J Chem Phys; 2009 Jan 21; 130(3):034110. PubMed ID: 19173513
    [Abstract] [Full Text] [Related]

  • 2. First principles predictions of thermophysical properties of refrigerant mixtures.
    Oakley MT, Do H, Hirst JD, Wheatley RJ.
    J Chem Phys; 2011 Mar 21; 134(11):114518. PubMed ID: 21428643
    [Abstract] [Full Text] [Related]

  • 3. Vapor-liquid and vapor-solid phase equilibria for united-atom benzene models near their triple points: the importance of quadrupolar interactions.
    Zhao XS, Chen B, Karaborni S, Siepmann JI.
    J Phys Chem B; 2005 Mar 24; 109(11):5368-74. PubMed ID: 16863203
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  • 4. Thermodynamic behavior of the CO2 + NO2/N2O4 mixture: a Monte Carlo simulation study.
    Bourasseau E, Lachet V, Desbiens N, Maillet JB, Teuler JM, Ungerer P.
    J Phys Chem B; 2008 Dec 11; 112(49):15783-92. PubMed ID: 19367990
    [Abstract] [Full Text] [Related]

  • 5. Water in nanopores. I. Coexistence curves from Gibbs ensemble Monte Carlo simulations.
    Brovchenko I, Geiger A, Oleinikova A.
    J Chem Phys; 2004 Jan 22; 120(4):1958-72. PubMed ID: 15268330
    [Abstract] [Full Text] [Related]

  • 6. Effect of three-body interactions on the vapor-liquid phase equilibria of binary fluid mixtures.
    Wang L, Sadus RJ.
    J Chem Phys; 2006 Aug 21; 125(7):074503. PubMed ID: 16942347
    [Abstract] [Full Text] [Related]

  • 7. 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]

  • 8. Liquid-vapor and liquid-liquid phase equilibria of the Brodholt-Sampoli-Vallauri polarizable water model.
    Jedlovszky P, Vallauri R.
    J Chem Phys; 2005 Feb 22; 122(8):81101. PubMed ID: 15836011
    [Abstract] [Full Text] [Related]

  • 9. Interatomic Lennard-Jones potentials of linear and branched alkanes calibrated by Gibbs ensemble simulations for vapor-liquid equilibria.
    Chang J, Sandler SI.
    J Chem Phys; 2004 Oct 15; 121(15):7474-83. PubMed ID: 15473822
    [Abstract] [Full Text] [Related]

  • 10. The gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide from combustion calorimetry, vapor pressure measurements, and ab initio calculations.
    Emel'yanenko VN, Verevkin SP, Heintz A.
    J Am Chem Soc; 2007 Apr 04; 129(13):3930-7. PubMed ID: 17352472
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. Viabilty of atomistic potentials for thermodynamic properties of carbon dioxide at low temperatures.
    Kuznetsova T, Kvamme B.
    J Comput Chem; 2001 Nov 30; 22(15):1772-1781. PubMed ID: 12116410
    [Abstract] [Full Text] [Related]

  • 13. Binary phase behavior and aggregation of dilute methanol in supercritical carbon dioxide: a Monte Carlo simulation study.
    Stubbs JM, Siepmann JI.
    J Chem Phys; 2004 Jul 15; 121(3):1525-34. PubMed ID: 15260698
    [Abstract] [Full Text] [Related]

  • 14. Phase behavior of elemental aluminum using monte carlo simulations.
    Bhatt D, Schultz NE, Jasper AW, Siepmann JI, Truhlar DG.
    J Phys Chem B; 2006 Dec 28; 110(51):26135-42. PubMed ID: 17181268
    [Abstract] [Full Text] [Related]

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  • 19. Anisotropic united atom model including the electrostatic interactions of benzene.
    Bonnaud P, Nieto-Draghi C, Ungerer P.
    J Phys Chem B; 2007 Apr 12; 111(14):3730-41. PubMed ID: 17388536
    [Abstract] [Full Text] [Related]

  • 20. Influence of bond flexibility on the vapor-liquid phase equilibria of water.
    Raabe G, Sadus RJ.
    J Chem Phys; 2007 Jan 28; 126(4):044701. PubMed ID: 17286493
    [Abstract] [Full Text] [Related]

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