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519 related items for PubMed ID: 16471687

  • 1. Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix monte carlo simulation and finite-size scaling.
    Singh JK, Errington JR.
    J Phys Chem B; 2006 Jan 26; 110(3):1369-76. PubMed ID: 16471687
    [Abstract] [Full Text] [Related]

  • 2. Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surface.
    Singh JK, Sarma G, Kwak SK.
    J Chem Phys; 2008 Jan 28; 128(4):044708. PubMed ID: 18247982
    [Abstract] [Full Text] [Related]

  • 3. Vapor-liquid coexistence of patchy models: relevance to protein phase behavior.
    Liu H, Kumar SK, Sciortino F.
    J Chem Phys; 2007 Aug 28; 127(8):084902. PubMed ID: 17764289
    [Abstract] [Full Text] [Related]

  • 4. Liquid-vapor equilibria and interfacial properties of n-alkanes and perfluoroalkanes by molecular simulation.
    Amat MA, Rutledge GC.
    J Chem Phys; 2010 Mar 21; 132(11):114704. PubMed ID: 20331313
    [Abstract] [Full Text] [Related]

  • 5. Prewetting transitions of one site associating fluids.
    Khan S, Singh JK.
    J Chem Phys; 2010 Apr 14; 132(14):144501. PubMed ID: 20405995
    [Abstract] [Full Text] [Related]

  • 6. Surface tension and vapor-liquid phase coexistence of confined square-well fluid.
    Singh JK, Kwak SK.
    J Chem Phys; 2007 Jan 14; 126(2):024702. PubMed ID: 17228961
    [Abstract] [Full Text] [Related]

  • 7. Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation.
    Grzelak EM, Errington JR.
    J Chem Phys; 2008 Jan 07; 128(1):014710. PubMed ID: 18190215
    [Abstract] [Full Text] [Related]

  • 8. Conformation of alkanes in the gas phase and pure liquids.
    Thomas LL, Christakis TJ, Jorgensen WL.
    J Phys Chem B; 2006 Oct 26; 110(42):21198-204. PubMed ID: 17048945
    [Abstract] [Full Text] [Related]

  • 9. Determination of surface tension in binary mixtures using transition-matrix Monte Carlo.
    Shen VK, Errington JR.
    J Chem Phys; 2006 Jan 14; 124(2):024721. PubMed ID: 16422640
    [Abstract] [Full Text] [Related]

  • 10. Comparative study of the effect of tail corrections on surface tension determined by molecular simulation.
    Shen VK, Mountain RD, Errington JR.
    J Phys Chem B; 2007 Jun 07; 111(22):6198-207. PubMed ID: 17497915
    [Abstract] [Full Text] [Related]

  • 11. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA, Brooks CL.
    J Chem Phys; 2006 May 28; 124(20):204706. PubMed ID: 16774363
    [Abstract] [Full Text] [Related]

  • 12. Molecular simulation study of effect of molecular association on vapor-liquid interfacial properties.
    Singh JK, Kofke DA.
    J Chem Phys; 2004 Nov 15; 121(19):9574-80. PubMed ID: 15538879
    [Abstract] [Full Text] [Related]

  • 13. Monte Carlo simulations of phase transitions and adsorption isotherm discontinuities on surface compression.
    Charniak CL, Wetzel TE, Aranovich GL, Donohue MD.
    J Colloid Interface Sci; 2008 Aug 15; 324(1-2):9-14. PubMed ID: 18513735
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Virial coefficients of model alkanes.
    Schultz AJ, Kofke DA.
    J Chem Phys; 2010 Sep 14; 133(10):104101. PubMed ID: 20849158
    [Abstract] [Full Text] [Related]

  • 16. A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Jan 08; 122(2):024508. PubMed ID: 15638599
    [Abstract] [Full Text] [Related]

  • 17. Investigation of the phase behavior of an embedded charge protein model through molecular simulation.
    Rosch TW, Errington JR.
    J Phys Chem B; 2007 Nov 01; 111(43):12591-8. PubMed ID: 17929863
    [Abstract] [Full Text] [Related]

  • 18. Monte Carlo simulation of equilibrium reactions at vapor-liquid interfaces.
    Turner CH.
    J Phys Chem B; 2005 Dec 15; 109(49):23588-95. PubMed ID: 16375335
    [Abstract] [Full Text] [Related]

  • 19. A finite-size scaling study of a model of globular proteins.
    Pagan DL, Gracheva ME, Gunton JD.
    J Chem Phys; 2004 May 01; 120(17):8292-8. PubMed ID: 15267750
    [Abstract] [Full Text] [Related]

  • 20. Characterization of polychlorinated alkane mixtures--a Monte Carlo modeling approach.
    Jensen SR, Brown WA, Heath E, Cooper DG.
    Biodegradation; 2007 Dec 01; 18(6):703-17. PubMed ID: 17237980
    [Abstract] [Full Text] [Related]

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