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Journal Abstract Search

441 related items for PubMed ID: 16751873

  • 1. 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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  • 7. Ab initio molecular dynamics study of carbon dioxide and bicarbonate hydration and the nucleophilic attack of hydroxide on CO2.
    Leung K, Nielsen IM, Kurtz I.
    J Phys Chem B; 2007 May 03; 111(17):4453-9. PubMed ID: 17408252
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  • 10. Molecular dynamics study of a heteroditopic-calix[4]diquinone-assisted transfer of KCl and dopamine through a water-chloroform liquid-liquid interface.
    Santos SM, Costa PJ, Lankshear MD, Beer PD, Félix V.
    J Phys Chem B; 2010 Sep 02; 114(34):11173-80. PubMed ID: 20690692
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  • 11. 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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  • 14. Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution.
    Kina D, Nakayama A, Noro T, Taketsugu T, Gordon MS.
    J Phys Chem A; 2008 Oct 09; 112(40):9675-83. PubMed ID: 18785694
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  • 16. Microwave heating of water, ice, and saline solution: molecular dynamics study.
    Tanaka M, Sato M.
    J Chem Phys; 2007 Jan 21; 126(3):034509. PubMed ID: 17249886
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  • 18. Structure of an accurate ab initio model of the aqueous Cl- ion at high temperatures.
    Dong H, Liu W, Doren D, Wood R.
    J Phys Chem B; 2006 Sep 21; 110(37):18504-14. PubMed ID: 16970478
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  • 19. Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field.
    Yang ZZ, Li X.
    J Phys Chem A; 2005 Apr 28; 109(16):3517-20. PubMed ID: 16839014
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  • 20. Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics.
    Asthagiri D, Pratt LR, Kress JD.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2003 Oct 28; 68(4 Pt 1):041505. PubMed ID: 14682945
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