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Journal Abstract Search

234 related items for PubMed ID: 16674252

  • 1. Finite-size effects in the microscopic structure of a hard-sphere fluid in a narrow cylindrical pore.
    Román FL, White JA, González A, Velasco S.
    J Chem Phys; 2006 Apr 21; 124(15):154708. PubMed ID: 16674252
    [Abstract] [Full Text] [Related]

  • 2. Thermodynamic characterization of fluids confined in heterogeneous pores by monte carlo simulations in the grand canonical and the isobaric-isothermal ensembles.
    Puibasset J.
    J Phys Chem B; 2005 Apr 28; 109(16):8185-94. PubMed ID: 16851957
    [Abstract] [Full Text] [Related]

  • 3. Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system.
    Hansen N, Jakobtorweihen S, Keil FJ.
    J Chem Phys; 2005 Apr 22; 122(16):164705. PubMed ID: 15945697
    [Abstract] [Full Text] [Related]

  • 4. A simulation method for the calculation of chemical potentials in small, inhomogeneous, and dense systems.
    Neimark AV, Vishnyakov A.
    J Chem Phys; 2005 Jun 15; 122(23):234108. PubMed ID: 16008431
    [Abstract] [Full Text] [Related]

  • 5. Determination of the melting point of hard spheres from direct coexistence simulation methods.
    Noya EG, Vega C, de Miguel E.
    J Chem Phys; 2008 Apr 21; 128(15):154507. PubMed ID: 18433235
    [Abstract] [Full Text] [Related]

  • 6. Density functional theory of fluids in the isothermal-isobaric ensemble.
    González A, White JA, Román FL, Velasco S.
    J Chem Phys; 2004 Jun 08; 120(22):10634-9. PubMed ID: 15268089
    [Abstract] [Full Text] [Related]

  • 7. Molecular solvent model of cylindrical electric double layers: a systematic study by Monte Carlo simulations and density functional theory.
    Goel T, Patra CN, Ghosh SK, Mukherjee T.
    J Chem Phys; 2008 Oct 21; 129(15):154707. PubMed ID: 19045218
    [Abstract] [Full Text] [Related]

  • 8. Freezing of hard spheres confined in narrow cylindrical pores.
    Gordillo MC, Martínez-Haya B, Romero-Enrique JM.
    J Chem Phys; 2006 Oct 14; 125(14):144702. PubMed ID: 17042626
    [Abstract] [Full Text] [Related]

  • 9. Molecular simulations of confined liquids: an alternative to the grand canonical Monte Carlo simulations.
    Ghoufi A, Morineau D, Lefort R, Hureau I, Hennous L, Zhu H, Szymczyk A, Malfreyt P, Maurin G.
    J Chem Phys; 2011 Feb 21; 134(7):074104. PubMed ID: 21341825
    [Abstract] [Full Text] [Related]

  • 10. Structure and adsorption of a hard-core multi-Yukawa fluid confined in a slitlike pore: grand canonical Monte Carlo simulation and density functional study.
    Yu YX, You FQ, Tang Y, Gao GH, Li YG.
    J Phys Chem B; 2006 Jan 12; 110(1):334-41. PubMed ID: 16471540
    [Abstract] [Full Text] [Related]

  • 11. A study of the pair and triplet structures of the quantum hard-sphere Yukawa fluid.
    Sesé LM.
    J Chem Phys; 2009 Feb 21; 130(7):074504. PubMed ID: 19239299
    [Abstract] [Full Text] [Related]

  • 12. Grand canonical Monte Carlo simulation of argon adsorption at the surface of silica nanopores: effect of pore size, pore morphology, and surface roughness.
    Coasne B, Pellenq RJ.
    J Chem Phys; 2004 Feb 08; 120(6):2913-22. PubMed ID: 15268439
    [Abstract] [Full Text] [Related]

  • 13. Spatial updating in the great grand canonical ensemble.
    Orkoulas G, Noon DP.
    J Chem Phys; 2009 Oct 28; 131(16):161106. PubMed ID: 19894918
    [Abstract] [Full Text] [Related]

  • 14. Thermodynamic pressure of simple fluids confined in cylindrical nanopores by isothermal-isobaric Monte Carlo: influence of fluid/substrate interactions.
    Puibasset J.
    J Chem Phys; 2007 Aug 21; 127(7):074702. PubMed ID: 17718622
    [Abstract] [Full Text] [Related]

  • 15. Density functional theory of fluids in nanopores: analysis of the fundamental measures theory in extreme dimensional-crossover situations.
    González A, White JA, Román FL, Velasco S.
    J Chem Phys; 2006 Aug 14; 125(6):64703. PubMed ID: 16942301
    [Abstract] [Full Text] [Related]

  • 16. Isobaric-isothermal monte carlo simulations from first principles: application to liquid water at ambient conditions.
    McGrath MJ, Siepmann JI, Kuo IF, Mundy CJ, VandeVondele J, Hutter J, Mohamed F, Krack M.
    Chemphyschem; 2005 Sep 05; 6(9):1894-901. PubMed ID: 16080220
    [Abstract] [Full Text] [Related]

  • 17. A cluster algorithm for Monte Carlo simulation at constant pressure.
    Almarza NG.
    J Chem Phys; 2009 May 14; 130(18):184106. PubMed ID: 19449907
    [Abstract] [Full Text] [Related]

  • 18. Adsorption of a Hard Sphere Fluid in Disordered Microporous Quenched Matrix of Short Chain Molecules: Integral Equations and Grand Canonical Monte Carlo Simulations.
    Malo BM, Pizio O, Trokhymchuk A, Duda Y.
    J Colloid Interface Sci; 1999 Mar 15; 211(2):387-394. PubMed ID: 10049555
    [Abstract] [Full Text] [Related]

  • 19. Thermodynamics and partitioning of homopolymers into a slit-A grand canonical Monte Carlo simulation study.
    Jiang W, Wang Y.
    J Chem Phys; 2004 Aug 22; 121(8):3905-13. PubMed ID: 15303959
    [Abstract] [Full Text] [Related]

  • 20. Structure of inhomogeneous attractive and repulsive hard-core yukawa fluid: grand canonical Monte Carlo simulation and density functional theory study.
    You FQ, Yu YX, Gao GH.
    J Phys Chem B; 2005 Mar 03; 109(8):3512-8. PubMed ID: 16851387
    [Abstract] [Full Text] [Related]

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