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Journal Abstract Search

282 related items for PubMed ID: 17313226

  • 1. 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
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  • 2. Classical and quantum gibbs free energies and phase behavior of water using simulation and cell theory.
    Klefas-Stennett M, Henchman RH.
    J Phys Chem B; 2008 Aug 14; 112(32):9769-76. PubMed ID: 18637683
    [Abstract] [Full Text] [Related]

  • 3. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.
    Shirts MR, Pande VS.
    J Chem Phys; 2005 Apr 01; 122(13):134508. PubMed ID: 15847482
    [Abstract] [Full Text] [Related]

  • 4. Clusters of classical water models.
    Kiss PT, Baranyai A.
    J Chem Phys; 2009 Nov 28; 131(20):204310. PubMed ID: 19947683
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  • 6. 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
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  • 7. Competing quantum effects in the dynamics of a flexible water model.
    Habershon S, Markland TE, Manolopoulos DE.
    J Chem Phys; 2009 Jul 14; 131(2):024501. PubMed ID: 19603998
    [Abstract] [Full Text] [Related]

  • 8. 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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  • 9. 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]

  • 10. Temperature dependence of the hydrophobic hydration and interaction of simple solutes: an examination of five popular water models.
    Paschek D.
    J Chem Phys; 2004 Apr 08; 120(14):6674-90. PubMed ID: 15267560
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine.
    Shubert VA, Baquero EE, Clarkson JR, James WH, Turk JA, Hare AA, Worrel K, Lipton MA, Schofield DP, Jordan KD, Zwier TS.
    J Chem Phys; 2007 Dec 21; 127(23):234315. PubMed ID: 18154390
    [Abstract] [Full Text] [Related]

  • 13. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
    Warren GL, Patel S.
    J Chem Phys; 2007 Aug 14; 127(6):064509. PubMed ID: 17705614
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  • 16. Conformational entropy of biomolecules: beyond the quasi-harmonic approximation.
    Numata J, Wan M, Knapp EW.
    Genome Inform; 2007 Aug 14; 18():192-205. PubMed ID: 18546487
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  • 18. Modeling of mixing acetone and water: how can their full miscibility be reproduced in computer simulations?
    Pinke A, Jedlovszky P.
    J Phys Chem B; 2012 May 24; 116(20):5977-84. PubMed ID: 22524681
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  • 19. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum.
    Vendrell O, Brill M, Gatti F, Lauvergnat D, Meyer HD.
    J Chem Phys; 2009 Jun 21; 130(23):234305. PubMed ID: 19548725
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