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Journal Abstract Search

509 related items for PubMed ID: 16321097

  • 61. Vapor-liquid and vapor-solid phase equilibria for united-atom benzene models near their triple points: the importance of quadrupolar interactions.
    Zhao XS, Chen B, Karaborni S, Siepmann JI.
    J Phys Chem B; 2005 Mar 24; 109(11):5368-74. PubMed ID: 16863203
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  • 62. Nonequilibrium melting and crystallization of a model Lennard-Jones system.
    Luo SN, Strachan A, Swift DC.
    J Chem Phys; 2004 Jun 22; 120(24):11640-9. PubMed ID: 15268198
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  • 63. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization.
    Lu J, Qiu Y, Baron R, Molinero V.
    J Chem Theory Comput; 2014 Sep 09; 10(9):4104-20. PubMed ID: 26588552
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  • 64. In situ ATR-IR spectroscopic and reaction kinetics studies of water-gas shift and methanol reforming on Pt/Al2O3 catalysts in vapor and liquid phases.
    He R, Davda RR, Dumesic JA.
    J Phys Chem B; 2005 Feb 24; 109(7):2810-20. PubMed ID: 16851292
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  • 65. Surface tension of water and acid gases from Monte Carlo simulations.
    Ghoufi A, Goujon F, Lachet V, Malfreyt P.
    J Chem Phys; 2008 Apr 21; 128(15):154716. PubMed ID: 18433267
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  • 66. Surface tension of quantum fluids from molecular simulations.
    Zhao X, Johnson JK, Rasmussen CE.
    J Chem Phys; 2004 May 08; 120(18):8707-15. PubMed ID: 15267801
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  • 67. Higher-order virial coefficients of water models.
    Benjamin KM, Singh JK, Schultz AJ, Kofke DA.
    J Phys Chem B; 2007 Oct 04; 111(39):11463-73. PubMed ID: 17850128
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  • 68. An aggregation-volume-bias Monte Carlo investigation on the condensation of a Lennard-Jones vapor below the triple point and crystal nucleation in cluster systems: an in-depth evaluation of the classical nucleation theory.
    Chen B, Kim H, Keasler SJ, Nellas RB.
    J Phys Chem B; 2008 Apr 03; 112(13):4067-78. PubMed ID: 18335920
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  • 69. Melting line of the Lennard-Jones system, infinite size, and full potential.
    Mastny EA, de Pablo JJ.
    J Chem Phys; 2007 Sep 14; 127(10):104504. PubMed ID: 17867758
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  • 70. Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.
    Bauer BA, Warren GL, Patel S.
    J Chem Theory Comput; 2009 Feb 10; 5(2):359-373. PubMed ID: 23133341
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  • 71. Interactions of nitrous oxide with fluorinated liquids.
    Costa Gomes MF, Deschamps J, Pádua AA.
    J Phys Chem B; 2006 Sep 21; 110(37):18566-72. PubMed ID: 16970485
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  • 72. The phase diagram of water at negative pressures: virtual ices.
    Conde MM, Vega C, Tribello GA, Slater B.
    J Chem Phys; 2009 Jul 21; 131(3):034510. PubMed ID: 19624212
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  • 73. Isotope quantum effects in water around the freezing point.
    Hart RT, Mei Q, Benmore CJ, Neuefeind JC, Turner JF, Dolgos M, Tomberli B, Egelstaff PA.
    J Chem Phys; 2006 Apr 07; 124(13):134505. PubMed ID: 16613459
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  • 74. Liquid-vapor equilibrium isotopic fractionation of water: how well can classical water models predict it?
    Chialvo AA, Horita J.
    J Chem Phys; 2009 Mar 07; 130(9):094509. PubMed ID: 19275411
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  • 75. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: the case of carbon dioxide.
    Mognetti BM, Yelash L, Virnau P, Paul W, Binder K, Müller M, MacDowell LG.
    J Chem Phys; 2008 Mar 14; 128(10):104501. PubMed ID: 18345900
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  • 76. Ice Ih-Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions.
    Davidchack RL, Handel R, Anwar J, Brukhno AV.
    J Chem Theory Comput; 2012 Jul 10; 8(7):2383-90. PubMed ID: 26588971
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  • 77. Surface properties of the polarizable Baranyai-Kiss water model.
    Kiss P, Darvas M, Baranyai A, Jedlovszky P.
    J Chem Phys; 2012 Mar 21; 136(11):114706. PubMed ID: 22443789
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  • 78. Classical density-functional theory of inhomogeneous water including explicit molecular structure and nonlinear dielectric response.
    Lischner J, Arias TA.
    J Phys Chem B; 2010 Feb 11; 114(5):1946-53. PubMed ID: 20085242
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  • 79. Toward a statistical mechanical theory for water: analytical theory for a short-ranged reference system.
    Jirsák J, Nezbeda I.
    J Chem Phys; 2007 Sep 28; 127(12):124508. PubMed ID: 17902922
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  • 80. Physics of solid and liquid alkali halide surfaces near the melting point.
    Zykova-Timan T, Ceresoli D, Tartaglino U, Tosatti E.
    J Chem Phys; 2005 Oct 22; 123(16):164701. PubMed ID: 16268716
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