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509 related items for PubMed ID: 16321097

  • 1. 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]

  • 2. Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice.
    Vega C, Abascal JL, Nezbeda I.
    J Chem Phys; 2006 Jul 21; 125(3):34503. PubMed ID: 16863358
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. 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]

  • 5. 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
    [Abstract] [Full Text] [Related]

  • 6. Molecular dynamics simulations of vapor/liquid coexistence using the nonpolarizable water models.
    Sakamaki R, Sum AK, Narumi T, Yasuoka K.
    J Chem Phys; 2011 Mar 28; 134(12):124708. PubMed ID: 21456696
    [Abstract] [Full Text] [Related]

  • 7. The melting temperature of the most common models of water.
    Vega C, Sanz E, Abascal JL.
    J Chem Phys; 2005 Mar 15; 122(11):114507. PubMed ID: 15836229
    [Abstract] [Full Text] [Related]

  • 8. 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]

  • 9. Capillary waves at the liquid-vapor interface and the surface tension of water.
    Ismail AE, Grest GS, Stevens MJ.
    J Chem Phys; 2006 Jul 07; 125(1):014702. PubMed ID: 16863319
    [Abstract] [Full Text] [Related]

  • 10. Relation between the melting temperature and the temperature of maximum density for the most common models of water.
    Vega C, Abascal JL.
    J Chem Phys; 2005 Oct 08; 123(14):144504. PubMed ID: 16238404
    [Abstract] [Full Text] [Related]

  • 11. The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase.
    Aragones JL, Conde MM, Noya EG, Vega C.
    Phys Chem Chem Phys; 2009 Jan 21; 11(3):543-55. PubMed ID: 19283272
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14. Clusters of classical water models.
    Kiss PT, Baranyai A.
    J Chem Phys; 2009 Nov 28; 131(20):204310. PubMed ID: 19947683
    [Abstract] [Full Text] [Related]

  • 15. Melting temperature of ice Ih calculated from coexisting solid-liquid phases.
    Wang J, Yoo S, Bai J, Morris JR, Zeng XC.
    J Chem Phys; 2005 Jul 15; 123(3):36101. PubMed ID: 16080767
    [Abstract] [Full Text] [Related]

  • 16. Properties of ices at 0 K: a test of water models.
    Aragones JL, Noya EG, Abascal JL, Vega C.
    J Chem Phys; 2007 Oct 21; 127(15):154518. PubMed ID: 17949184
    [Abstract] [Full Text] [Related]

  • 17. Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models.
    Brovchenko I, Geiger A, Oleinikova A.
    J Chem Phys; 2005 Jul 22; 123(4):044515. PubMed ID: 16095377
    [Abstract] [Full Text] [Related]

  • 18. The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface.
    García Fernández R, Abascal JL, Vega C.
    J Chem Phys; 2006 Apr 14; 124(14):144506. PubMed ID: 16626213
    [Abstract] [Full Text] [Related]

  • 19. Limitations of the rigid planar nonpolarizable models of water.
    Baranyai A, Bartók A, Chialvo AA.
    J Chem Phys; 2006 Feb 21; 124(7):74507. PubMed ID: 16497057
    [Abstract] [Full Text] [Related]

  • 20. Free energy of liquid water from a computer simulation via cell theory.
    Henchman RH.
    J Chem Phys; 2007 Feb 14; 126(6):064504. PubMed ID: 17313226
    [Abstract] [Full Text] [Related]

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