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213 related items for PubMed ID: 27389232

  • 1. Interfacial properties of binary mixtures of square-well molecules from Monte Carlo simulation.
    Martínez-Ruiz FJ, Blas FJ.
    J Chem Phys; 2016 Apr 21; 144(15):154705. PubMed ID: 27389232
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. 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]

  • 4. 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]

  • 5. 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]

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  • 7. 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]

  • 8. 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]

  • 9. Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range.
    Llovell F, Galindo A, Blas FJ, Jackson G.
    J Chem Phys; 2010 Jul 14; 133(2):024704. PubMed ID: 20632767
    [Abstract] [Full Text] [Related]

  • 10. On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation.
    Garrido JM, Algaba J, Míguez JM, Mendiboure B, Moreno-Ventas Bravo AI, Piñeiro MM, Blas FJ.
    J Chem Phys; 2016 Apr 14; 144(14):144702. PubMed ID: 27083740
    [Abstract] [Full Text] [Related]

  • 11. Interfacial properties of binary mixtures of Lennard-Jones chains in planar interfaces by molecular dynamics simulation.
    Granados-Bazán EL, Quiñones-Cisneros SE, Deiters UK.
    J Chem Phys; 2021 Feb 28; 154(8):084704. PubMed ID: 33639748
    [Abstract] [Full Text] [Related]

  • 12. Monte Carlo simulation strategies to compute interfacial and bulk properties of binary fluid mixtures.
    Kumar V, Errington JR.
    J Chem Phys; 2013 May 07; 138(17):174112. PubMed ID: 23656119
    [Abstract] [Full Text] [Related]

  • 13. Molecular dynamics of liquid-liquid equilibrium and interfacial properties of aqueous solutions of methyl esters.
    Feria E, Algaba J, Míguez JM, Mejía A, Blas FJ.
    Phys Chem Chem Phys; 2022 Mar 02; 24(9):5371-5382. PubMed ID: 35170596
    [Abstract] [Full Text] [Related]

  • 14. Surface tension of the Widom-Rowlinson model.
    de Miguel E, Almarza NG, Jackson G.
    J Chem Phys; 2007 Jul 21; 127(3):034707. PubMed ID: 17655455
    [Abstract] [Full Text] [Related]

  • 15. 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 21; 75(5 Pt 1):051602. PubMed ID: 17677073
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range.
    Gloor GJ, Jackson G, Blas FJ, Del Río EM, de Miguel E.
    J Chem Phys; 2004 Dec 22; 121(24):12740-59. PubMed ID: 15606300
    [Abstract] [Full Text] [Related]

  • 18. Structure, dynamics, and the free energy of solute adsorption at liquid-vapor interfaces of simple dipolar systems: molecular dynamics results for pure and mixed Stockmayer fluids.
    Paul S, Chandra A.
    J Phys Chem B; 2007 Nov 01; 111(43):12500-7. PubMed ID: 17927243
    [Abstract] [Full Text] [Related]

  • 19. Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface.
    Rane K, van der Vegt NF.
    J Phys Chem B; 2016 Sep 15; 120(36):9697-707. PubMed ID: 27532321
    [Abstract] [Full Text] [Related]

  • 20. On interfacial tension calculation from the test-area methodology in the grand canonical ensemble.
    Míguez JM, Piñeiro MM, Moreno-Ventas Bravo AI, Blas FJ.
    J Chem Phys; 2012 Mar 21; 136(11):114707. PubMed ID: 22443790
    [Abstract] [Full Text] [Related]

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