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Journal Abstract Search

662 related items for PubMed ID: 19530755

  • 1. On the phase diagram of water with density functional theory potentials: The melting temperature of ice I(h) with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals.
    Yoo S, Zeng XC, Xantheas SS.
    J Chem Phys; 2009 Jun 14; 130(22):221102. PubMed ID: 19530755
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  • 2. Ab initio rigid water: effect on water structure, ion hydration, and thermodynamics.
    Leung K, Rempe SB.
    Phys Chem Chem Phys; 2006 May 14; 8(18):2153-62. PubMed ID: 16751873
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  • 3. Communication: The effect of dispersion corrections on the melting temperature of liquid water.
    Yoo S, Xantheas SS.
    J Chem Phys; 2011 Mar 28; 134(12):121105. PubMed ID: 21456638
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  • 4. Towards an assessment of the accuracy of density functional theory for first principles simulations of water.
    Grossman JC, Schwegler E, Draeger EW, Gygi F, Galli G.
    J Chem Phys; 2004 Jan 01; 120(1):300-11. PubMed ID: 15267290
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  • 7. The Melting Temperature of Liquid Water with the Effective Fragment Potential.
    Brorsen KR, Willow SY, Xantheas SS, Gordon MS.
    J Phys Chem Lett; 2015 Sep 17; 6(18):3555-9. PubMed ID: 26722723
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  • 8. A calorimetric study on the low temperature dynamics of doped ice V and its reversible phase transition to hydrogen ordered ice XIII.
    Salzmann CG, Radaelli PG, Finney JL, Mayer E.
    Phys Chem Chem Phys; 2008 Nov 07; 10(41):6313-24. PubMed ID: 18936855
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  • 9. Structure, stability, thermodynamic properties, and infrared spectra of the protonated water octamer H(+)(H2O)8.
    Karthikeyan S, Park M, Shin I, Kim KS.
    J Phys Chem A; 2008 Oct 16; 112(41):10120-4. PubMed ID: 18788720
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  • 15. The extended Perdew-Burke-Ernzerhof functional with improved accuracy for thermodynamic and electronic properties of molecular systems.
    Xu X, Goddard WA.
    J Chem Phys; 2004 Sep 01; 121(9):4068-82. PubMed ID: 15332952
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  • 16. The effect of salt on the melting of ice: A molecular dynamics simulation study.
    Kim JS, Yethiraj A.
    J Chem Phys; 2008 Sep 28; 129(12):124504. PubMed ID: 19045033
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  • 19. 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
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