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192 related items for PubMed ID: 17677073

  • 1. Molecular simulations of the n -alkane liquid-vapor interface: interfacial properties and their long range corrections.
    Ibergay C, Ghoufi A, Goujon F, Ungerer P, Boutin A, Rousseau B, Malfreyt P.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2007 May; 75(5 Pt 1):051602. PubMed ID: 17677073
    [Abstract] [Full Text] [Related]

  • 2. Effect of dispersive long-range corrections to the pressure tensor: the vapour-liquid interfacial properties of the Lennard-Jones system revisited.
    Martínez-Ruiz FJ, Blas FJ, Mendiboure B, Moreno-Ventas Bravo AI.
    J Chem Phys; 2014 Nov 14; 141(18):184701. PubMed ID: 25399153
    [Abstract] [Full Text] [Related]

  • 3. Effect of molecular flexibility of Lennard-Jones chains on vapor-liquid interfacial properties.
    Blas FJ, Moreno-Ventas Bravo AI, Algaba J, Martínez-Ruiz FJ, MacDowell LG.
    J Chem Phys; 2014 Mar 21; 140(11):114705. PubMed ID: 24655196
    [Abstract] [Full Text] [Related]

  • 4. Surface tension and long range corrections of cylindrical interfaces.
    Bourasseau E, Malfreyt P, Ghoufi A.
    J Chem Phys; 2015 Dec 21; 143(23):234708. PubMed ID: 26696071
    [Abstract] [Full Text] [Related]

  • 5. 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]

  • 6. Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials.
    Gloor GJ, Jackson G, Blas FJ, de Miguel E.
    J Chem Phys; 2005 Oct 01; 123(13):134703. PubMed ID: 16223322
    [Abstract] [Full Text] [Related]

  • 7. Vapor-liquid interfacial properties of rigid-linear Lennard-Jones chains.
    Blas FJ, Moreno-Ventas Bravo AI, Míguez JM, Piñeiro MM, MacDowell LG.
    J Chem Phys; 2012 Aug 28; 137(8):084706. PubMed ID: 22938258
    [Abstract] [Full Text] [Related]

  • 8. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture.
    Martínez-Ruiz FJ, Moreno-Ventas Bravo AI, Blas FJ.
    J Chem Phys; 2015 Sep 14; 143(10):104706. PubMed ID: 26374055
    [Abstract] [Full Text] [Related]

  • 9. Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface.
    Goujon F, Malfreyt P, Simon JM, Boutin A, Rousseau B, Fuchs AH.
    J Chem Phys; 2004 Dec 22; 121(24):12559-71. PubMed ID: 15606277
    [Abstract] [Full Text] [Related]

  • 10. Controlling the long-range corrections in atomistic Monte Carlo simulations of two-phase systems.
    Goujon F, Ghoufi A, Malfreyt P, Tildesley DJ.
    J Chem Theory Comput; 2015 Oct 13; 11(10):4573-85. PubMed ID: 26574249
    [Abstract] [Full Text] [Related]

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  • 12. Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains.
    Blas FJ, MacDowell LG, de Miguel E, Jackson G.
    J Chem Phys; 2008 Oct 14; 129(14):144703. PubMed ID: 19045161
    [Abstract] [Full Text] [Related]

  • 13. Calculation of the surface tension of cyclic and aromatic hydrocarbons from Monte Carlo simulations using an anisotropic united atom model (AUA).
    Biscay F, Ghoufi A, Lachet V, Malfreyt P.
    Phys Chem Chem Phys; 2009 Aug 07; 11(29):6132-47. PubMed ID: 19606323
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  • 16. Surface tension of a Lennard-Jones liquid under supersaturation.
    He S, Attard P.
    Phys Chem Chem Phys; 2005 Aug 07; 7(15):2928-35. PubMed ID: 16189613
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  • 18. Interfacial properties of semifluorinated alkane diblock copolymers.
    Pierce F, Tsige M, Borodin O, Perahia D, Grest GS.
    J Chem Phys; 2008 Jun 07; 128(21):214903. PubMed ID: 18537447
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  • 20. Surface tension of fully flexible Lennard-Jones chains: role of long-range corrections.
    MacDowell LG, Blas FJ.
    J Chem Phys; 2009 Aug 21; 131(7):074705. PubMed ID: 19708756
    [Abstract] [Full Text] [Related]

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