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Journal Abstract Search

460 related items for PubMed ID: 16851754

  • 1. Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field.
    Noskov SY, Lamoureux G, Roux B.
    J Phys Chem B; 2005 Apr 14; 109(14):6705-13. PubMed ID: 16851754
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  • 4. 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
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  • 6. A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl(-) ions.
    Mallik BS, Semparithi A, Chandra A.
    J Chem Phys; 2008 Nov 21; 129(19):194512. PubMed ID: 19026071
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  • 8. Density functional theory based molecular-dynamics study of aqueous iodide solvation.
    Heuft JM, Meijer EJ.
    J Chem Phys; 2005 Sep 01; 123(9):94506. PubMed ID: 16164352
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  • 9. Flexible simple point-charge water model with improved liquid-state properties.
    Wu Y, Tepper HL, Voth GA.
    J Chem Phys; 2006 Jan 14; 124(2):024503. PubMed ID: 16422607
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  • 10. A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).
    Spezia R, Duvail M, Vitorge P, Cartailler T, Tortajada J, Chillemi G, D'Angelo P, Gaigeot MP.
    J Phys Chem A; 2006 Dec 07; 110(48):13081-8. PubMed ID: 17134169
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  • 13. Hydration shell parameters of aqueous alcohols: THz excess absorption and packing density.
    Matvejev V, Zizi M, Stiens J.
    J Phys Chem B; 2012 Dec 06; 116(48):14071-7. PubMed ID: 23153361
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  • 15. Hydration of alkali ions from first principles molecular dynamics revisited.
    Ikeda T, Boero M, Terakura K.
    J Chem Phys; 2007 Jan 21; 126(3):034501. PubMed ID: 17249878
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  • 17. Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models.
    Yu H, Geerke DP, Liu H, van Gunsteren WF.
    J Comput Chem; 2006 Oct 21; 27(13):1494-504. PubMed ID: 16838298
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  • 19. Spatial hydration maps and dynamics of naphthalene in ambient and supercritical water.
    Svishchev IM, Plugatyr A, Nahtigal IG.
    J Chem Phys; 2008 Mar 28; 128(12):124514. PubMed ID: 18376950
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