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161 related items for PubMed ID: 30195295

  • 1. Communication: Long range corrections in liquid-vapor interface simulations.
    Lishchuk SV, Fischer J.
    J Chem Phys; 2018 Sep 07; 149(9):091102. PubMed ID: 30195295
    [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]

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  • 6. 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]

  • 7. Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations.
    Dinpajooh M, Bai P, Allan DA, Siepmann JI.
    J Chem Phys; 2015 Sep 21; 143(11):114113. PubMed ID: 26395693
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  • 9. Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects?
    Biscay F, Ghoufi A, Goujon F, Lachet V, Malfreyt P.
    J Chem Phys; 2009 May 14; 130(18):184710. PubMed ID: 19449946
    [Abstract] [Full Text] [Related]

  • 10. Can we approach the gas-liquid critical point using slab simulations of two coexisting phases?
    Goujon F, Ghoufi A, Malfreyt P, Tildesley DJ.
    J Chem Phys; 2016 Sep 28; 145(12):124702. PubMed ID: 27782674
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. 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]

  • 13. Optimized molecular force field for sulfur hexafluoride simulations.
    Olivet A, Vega LF.
    J Chem Phys; 2007 Apr 14; 126(14):144502. PubMed ID: 17444718
    [Abstract] [Full Text] [Related]

  • 14. Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.
    Fischer NM, van Maaren PJ, Ditz JC, Yildirim A, van der Spoel D.
    J Chem Theory Comput; 2015 Jul 14; 11(7):2938-44. PubMed ID: 26575731
    [Abstract] [Full Text] [Related]

  • 15. 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]

  • 16. 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 14; 75(5 Pt 1):051602. PubMed ID: 17677073
    [Abstract] [Full Text] [Related]

  • 17. Molecular nitrogen-N2 properties: the intermolecular potential and the equation of state.
    Strak P, Krukowski S.
    J Chem Phys; 2007 May 21; 126(19):194501. PubMed ID: 17523816
    [Abstract] [Full Text] [Related]

  • 18. The free energy of the metastable supersaturated vapor via restricted ensemble simulations. II. Effects of constraints and comparison with molecular dynamics simulations.
    Nie C, Geng J, Marlow WH.
    J Chem Phys; 2008 Jun 21; 128(23):234310. PubMed ID: 18570502
    [Abstract] [Full Text] [Related]

  • 19. Combined temperature and density series for fluid-phase properties. II. Lennard-Jones spheres.
    Elliott JR, Schultz AJ, Kofke DA.
    J Chem Phys; 2019 Nov 28; 151(20):204501. PubMed ID: 31779334
    [Abstract] [Full Text] [Related]

  • 20. Liquid-vapor phase diagram and surface properties in oppositely charged colloids represented by a mixture of attractive and repulsive Yukawa potentials.
    Chapela GA, del Río F, Alejandre J.
    J Chem Phys; 2013 Feb 07; 138(5):054507. PubMed ID: 23406133
    [Abstract] [Full Text] [Related]

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