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245 related items for PubMed ID: 28513739

  • 1. Vapour-liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation.
    Martínez-Ruiz FJ, Blas FJ, Moreno-Ventas Bravo AI, Míguez JM, MacDowell LG.
    Phys Chem Chem Phys; 2017 May 17; 19(19):12296-12309. PubMed ID: 28513739
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. 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]

  • 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. 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]

  • 6. 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]

  • 7. 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]

  • 8. An accurate density functional theory for the vapor-liquid interface of chain molecules based on the statistical associating fluid theory for potentials of variable range for Mie chainlike fluids.
    Algaba J, Míguez JM, Mendiboure B, Blas FJ.
    Phys Chem Chem Phys; 2019 Jun 05; 21(22):11937-11948. PubMed ID: 31134241
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. 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]

  • 11. 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]

  • 12. Vapour-liquid phase equilibria and interfacial properties of fatty acid methyl esters from molecular dynamics simulations.
    Feria E, Algaba J, Míguez JM, Mejía A, Gómez-Álvarez P, Blas FJ.
    Phys Chem Chem Phys; 2020 Mar 07; 22(9):4974-4983. PubMed ID: 32083261
    [Abstract] [Full Text] [Related]

  • 13. Density functional theory for the prediction of interfacial properties of molecular fluids within the SAFT-γ coarse-grained approach.
    Algaba J, Mendiboure B, Gómez-Álvarez P, Blas FJ.
    RSC Adv; 2022 Jun 22; 12(29):18821-18833. PubMed ID: 35873311
    [Abstract] [Full Text] [Related]

  • 14. Universal scaling behaviour of surface tension of molecular chains.
    Blas FJ, Martínez-Ruiz FJ, Moreno-Ventas Bravo AI, MacDowell LG.
    J Chem Phys; 2012 Jul 14; 137(2):024702. PubMed ID: 22803553
    [Abstract] [Full Text] [Related]

  • 15. Monte Carlo simulation of flexible trimers: from square well chains to amphiphilic primitive models.
    Jiménez-Serratos G, Gil-Villegas A, Vega C, Blas FJ.
    J Chem Phys; 2013 Sep 21; 139(11):114901. PubMed ID: 24070305
    [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. Simultaneous application of the gradient theory and Monte Carlo molecular simulation for the investigation of methane/water interfacial properties.
    Miqueu C, Míguez JM, Piñeiro MM, Lafitte T, Mendiboure B.
    J Phys Chem B; 2011 Aug 11; 115(31):9618-25. PubMed ID: 21718009
    [Abstract] [Full Text] [Related]

  • 18. A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma).
    Lymperiadis A, Adjiman CS, Galindo A, Jackson G.
    J Chem Phys; 2007 Dec 21; 127(23):234903. PubMed ID: 18154411
    [Abstract] [Full Text] [Related]

  • 19. Accurate statistical associating fluid theory for chain molecules formed from Mie segments.
    Lafitte T, Apostolakou A, Avendaño C, Galindo A, Adjiman CS, Müller EA, Jackson G.
    J Chem Phys; 2013 Oct 21; 139(15):154504. PubMed ID: 24160524
    [Abstract] [Full Text] [Related]

  • 20. Liquid-vapor interfacial properties of vibrating square well chains.
    Chapela GA, Alejandre J.
    J Chem Phys; 2011 Aug 28; 135(8):084126. PubMed ID: 21895178
    [Abstract] [Full Text] [Related]

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