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925 related items for PubMed ID: 16863358

  • 21. Liquid-vapor and liquid-liquid phase equilibria of the Brodholt-Sampoli-Vallauri polarizable water model.
    Jedlovszky P, Vallauri R.
    J Chem Phys; 2005 Feb 22; 122(8):81101. PubMed ID: 15836011
    [Abstract] [Full Text] [Related]

  • 22. Critical comparison of classical and quantum mechanical treatments of the phase equilibria of water.
    Wick CD, Schenter GK.
    J Chem Phys; 2006 Mar 21; 124(11):114505. PubMed ID: 16555899
    [Abstract] [Full Text] [Related]

  • 23. Influence of bond flexibility on the vapor-liquid phase equilibria of water.
    Raabe G, Sadus RJ.
    J Chem Phys; 2007 Jan 28; 126(4):044701. PubMed ID: 17286493
    [Abstract] [Full Text] [Related]

  • 24. Heat capacity of water: A signature of nuclear quantum effects.
    Vega C, Conde MM, McBride C, Abascal JL, Noya EG, Ramirez R, Sesé LM.
    J Chem Phys; 2010 Jan 28; 132(4):046101. PubMed ID: 20113070
    [Abstract] [Full Text] [Related]

  • 25. Quantum effects in liquid water and ice: model dependence.
    Hernández de la Peña L, Kusalik PG.
    J Chem Phys; 2006 Aug 07; 125(5):054512. PubMed ID: 16942231
    [Abstract] [Full Text] [Related]

  • 26. Calculation of liquid water-hydrate-methane vapor phase equilibria from molecular simulations.
    Jensen L, Thomsen K, von Solms N, Wierzchowski S, Walsh MR, Koh CA, Sloan ED, Wu DT, Sum AK.
    J Phys Chem B; 2010 May 06; 114(17):5775-82. PubMed ID: 20392117
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  • 27. Widom line and the liquid-liquid critical point for the TIP4P/2005 water model.
    Abascal JL, Vega C.
    J Chem Phys; 2010 Dec 21; 133(23):234502. PubMed ID: 21186870
    [Abstract] [Full Text] [Related]

  • 28. Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew.
    Horn HW, Swope WC, Pitera JW, Madura JD, Dick TJ, Hura GL, Head-Gordon T.
    J Chem Phys; 2004 May 22; 120(20):9665-78. PubMed ID: 15267980
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  • 29. All-atom force field for the prediction of vapor-liquid equilibria and interfacial properties of HFA134a.
    Peguin RP, Kamath G, Potoff JJ, da Rocha SR.
    J Phys Chem B; 2009 Jan 08; 113(1):178-87. PubMed ID: 19086791
    [Abstract] [Full Text] [Related]

  • 30. Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.
    Bauer BA, Patel S.
    J Chem Phys; 2009 Aug 28; 131(8):084709. PubMed ID: 19725623
    [Abstract] [Full Text] [Related]

  • 31. Modeling of aqueous poly(oxyethylene) solutions: 1. Atomistic simulations.
    Fischer J, Paschek D, Geiger A, Sadowski G.
    J Phys Chem B; 2008 Feb 28; 112(8):2388-98. PubMed ID: 18251534
    [Abstract] [Full Text] [Related]

  • 32. Plastic crystal phases of simple water models.
    Aragones JL, Vega C.
    J Chem Phys; 2009 Jun 28; 130(24):244504. PubMed ID: 19566163
    [Abstract] [Full Text] [Related]

  • 33. Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.
    Lin ST, Maiti PK, Goddard WA.
    J Phys Chem B; 2010 Jun 24; 114(24):8191-8. PubMed ID: 20504009
    [Abstract] [Full Text] [Related]

  • 34. Simulating vapor-liquid nucleation of water: A combined histogram-reweighting and aggregation-volume-bias Monte Carlo investigation for fixed-charge and polarizable models.
    Chen B, Siepmann JI, Klein ML.
    J Phys Chem A; 2005 Feb 17; 109(6):1137-45. PubMed ID: 16833423
    [Abstract] [Full Text] [Related]

  • 35. Dielectric constant of ices and water: a lesson about water interactions.
    Aragones JL, MacDowell LG, Vega C.
    J Phys Chem A; 2011 Jun 16; 115(23):5745-58. PubMed ID: 20866096
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  • 36. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Oct 22; 123(16):164502. PubMed ID: 16268707
    [Abstract] [Full Text] [Related]

  • 37. Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids.
    Ahmed A, Sadus RJ.
    J Chem Phys; 2009 Nov 07; 131(17):174504. PubMed ID: 19895022
    [Abstract] [Full Text] [Related]

  • 38. Robust three-body water simulation model.
    Tainter CJ, Pieniazek PA, Lin YS, Skinner JL.
    J Chem Phys; 2011 May 14; 134(18):184501. PubMed ID: 21568515
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  • 39. Melting points and thermal expansivities of proton-disordered hexagonal ice with several model potentials.
    Koyama Y, Tanaka H, Gao G, Zeng XC.
    J Chem Phys; 2004 Oct 22; 121(16):7926-31. PubMed ID: 15485255
    [Abstract] [Full Text] [Related]

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