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475 related items for PubMed ID: 21456696

  • 1. 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]

  • 2. 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]

  • 3. 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]

  • 4. 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
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  • 5. A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Jan 08; 122(2):024508. PubMed ID: 15638599
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  • 6. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA, Brooks CL.
    J Chem Phys; 2006 May 28; 124(20):204706. PubMed ID: 16774363
    [Abstract] [Full Text] [Related]

  • 7. 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]

  • 8. 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]

  • 9. 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
    [Abstract] [Full Text] [Related]

  • 10. An internally consistent method for the molecular dynamics simulation of the surface tension: application to some TIP4P-type models of water.
    Mountain RD.
    J Phys Chem B; 2009 Jan 15; 113(2):482-6. PubMed ID: 19086867
    [Abstract] [Full Text] [Related]

  • 11. Effect of flexibility on surface tension and coexisting densities of water.
    López-Lemus J, Chapela GA, Alejandre J.
    J Chem Phys; 2008 May 07; 128(17):174703. PubMed ID: 18465932
    [Abstract] [Full Text] [Related]

  • 12. Determining the three-phase coexistence line in methane hydrates using computer simulations.
    Conde MM, Vega C.
    J Chem Phys; 2010 Aug 14; 133(6):064507. PubMed ID: 20707575
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. 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
    [Abstract] [Full Text] [Related]

  • 15. Non-polarizable force field of water based on the dielectric constant: TIP4P/ε.
    Fuentes-Azcatl R, Alejandre J.
    J Phys Chem B; 2014 Feb 06; 118(5):1263-72. PubMed ID: 24422512
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. Metastable extension of the liquid-vapor phase equilibrium curve and surface tension.
    Baidakov VG, Protsenko SP, Kozlova ZR, Chernykh GG.
    J Chem Phys; 2007 Jun 07; 126(21):214505. PubMed ID: 17567206
    [Abstract] [Full Text] [Related]

  • 18. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S, Mackerell AD, Brooks CL.
    J Comput Chem; 2004 Sep 07; 25(12):1504-14. PubMed ID: 15224394
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  • 19. Surface tension of a Lennard-Jones liquid under supersaturation.
    He S, Attard P.
    Phys Chem Chem Phys; 2005 Aug 07; 7(15):2928-35. PubMed ID: 16189613
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  • 20. Testing the recent charge-on-spring type polarizable water models. II. Vapor-liquid equilibrium.
    Kiss PT, Baranyai A.
    J Chem Phys; 2012 Nov 21; 137(19):194103. PubMed ID: 23181290
    [Abstract] [Full Text] [Related]

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