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180 related items for PubMed ID: 23343293

  • 1. Influence of the long-range corrections on the interfacial properties of molecular models using Monte Carlo simulation.
    Míguez JM, Piñeiro MM, Blas FJ.
    J Chem Phys; 2013 Jan 21; 138(3):034707. PubMed ID: 23343293
    [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. Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.
    Horn HW, Swope WC, Pitera JW.
    J Chem Phys; 2005 Nov 15; 123(19):194504. PubMed ID: 16321097
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. 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]

  • 6. 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]

  • 7. Surface tension of the most popular models of water by using the test-area simulation method.
    Vega C, de Miguel E.
    J Chem Phys; 2007 Apr 21; 126(15):154707. PubMed ID: 17461659
    [Abstract] [Full Text] [Related]

  • 8. Investigation of the salting out of methane from aqueous electrolyte solutions using computer simulations.
    Docherty H, Galindo A, Sanz E, Vega C.
    J Phys Chem B; 2007 Aug 02; 111(30):8993-9000. PubMed ID: 17595128
    [Abstract] [Full Text] [Related]

  • 9. The surface tension of TIP4P/2005 water model using the Ewald sums for the dispersion interactions.
    Alejandre J, Chapela GA.
    J Chem Phys; 2010 Jan 07; 132(1):014701. PubMed ID: 20078174
    [Abstract] [Full Text] [Related]

  • 10. The Wolf method applied to the type I methane and carbon dioxide gas hydrates.
    Sadeghifar A, Dadvar M, Karimi S, Ghobadi AF.
    J Mol Graph Model; 2012 Sep 07; 38():455-64. PubMed ID: 23142621
    [Abstract] [Full Text] [Related]

  • 11. An internally consistent method for the molecular dynamics simulation of the surface tension: application to some TIP4P-type models of water.
    Mountain RD.
    J Phys Chem B; 2009 Jan 15; 113(2):482-6. PubMed ID: 19086867
    [Abstract] [Full Text] [Related]

  • 12. Thermodynamics of water clusters under high pressures. A case study for (H2O)15 and (H2O)15CH4.
    Vítek A, Ofiala A, Kalus R.
    Phys Chem Chem Phys; 2012 Nov 28; 14(44):15509-19. PubMed ID: 23072914
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: the role of the quadrupole.
    Pérez-Sánchez G, González-Salgado D, Piñeiro MM, Vega C.
    J Chem Phys; 2013 Feb 28; 138(8):084506. PubMed ID: 23464159
    [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 28; 75(5 Pt 1):051602. PubMed ID: 17677073
    [Abstract] [Full Text] [Related]

  • 16. Thermodynamic properties for applications in chemical industry via classical force fields.
    Guevara-Carrion G, Hasse H, Vrabec J.
    Top Curr Chem; 2012 May 28; 307():201-49. PubMed ID: 21678137
    [Abstract] [Full Text] [Related]

  • 17. How intermolecular charge transfer influences the air-water interface.
    Wick CD, Lee AJ, Rick SW.
    J Chem Phys; 2012 Oct 21; 137(15):154701. PubMed ID: 23083178
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  • 18. A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence.
    Luis DP, García-González A, Saint-Martin H.
    Int J Mol Sci; 2016 May 26; 17(6):. PubMed ID: 27240339
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  • 19. Monte Carlo simulation methods for computing the wetting and drying properties of model systems.
    Rane KS, Kumar V, Errington JR.
    J Chem Phys; 2011 Dec 21; 135(23):234102. PubMed ID: 22191859
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  • 20. 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]

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