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Journal Abstract Search

156 related items for PubMed ID: 16189606

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  • 3. 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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  • 5. Molecular dynamics simulations of Cu(II) and the PHGGGWGQ octapeptide.
    Riihimäki ES, Martínez JM, Kloo L.
    J Phys Chem B; 2007 Sep 06; 111(35):10529-37. PubMed ID: 17696524
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  • 7. Solvation of calcium ions in methanol-water mixtures: molecular dynamics simulation.
    Owczarek E, Rybicki M, Hawlicka E.
    J Phys Chem B; 2007 Dec 27; 111(51):14271-8. PubMed ID: 18062680
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  • 8. Chemical equilibrium probed by two-dimensional IR spectroscopy: hydrogen bond dynamics of methyl acetate in water.
    Candelaresi M, Pagliai M, Lima M, Righini R.
    J Phys Chem A; 2009 Nov 19; 113(46):12783-90. PubMed ID: 19791793
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  • 12. Equatorial and apical solvent shells of the UO2 2+ ion.
    Nichols P, Bylaska EJ, Schenter GK, de Jong W.
    J Chem Phys; 2008 Mar 28; 128(12):124507. PubMed ID: 18376943
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  • 16. Hydrogen transfer and hydration properties of H(n)PO4(3-n) (n=0-3) in water studied by first principles molecular dynamics simulations.
    Tang E, Di Tommaso D, de Leeuw NH.
    J Chem Phys; 2009 Jun 21; 130(23):234502. PubMed ID: 19548734
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  • 19. Computational studies of liquid water and diluted water in carbon tetrachloride.
    Chang TM, Dang LX.
    J Phys Chem A; 2008 Feb 28; 112(8):1694-700. PubMed ID: 18232676
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