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334 related items for PubMed ID: 16494432

  • 1. Structure and dynamics of the aqueous liquid-vapor interface: a comprehensive particle-based simulation study.
    Kuo IF, Mundy CJ, Eggimann BL, McGrath MJ, Siepmann JI, Chen B, Vieceli J, Tobias DJ.
    J Phys Chem B; 2006 Mar 02; 110(8):3738-46. PubMed ID: 16494432
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  • 3. 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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  • 4. Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
    Napoleon RL, Moore PB.
    J Phys Chem B; 2006 Mar 02; 110(8):3666-73. PubMed ID: 16494422
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  • 7. Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solution.
    Lee HS, Tuckerman ME.
    J Phys Chem A; 2009 Mar 12; 113(10):2144-51. PubMed ID: 19195992
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  • 11. Hydrogen bonding and induced dipole moments in water: predictions from the Gaussian charge polarizable model and Car-Parrinello molecular dynamics.
    Dyer PJ, Cummings PT.
    J Chem Phys; 2006 Oct 14; 125(14):144519. PubMed ID: 17042621
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  • 14. A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects.
    Wasileski SA, Janik MJ.
    Phys Chem Chem Phys; 2008 Jul 07; 10(25):3613-27. PubMed ID: 18563222
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  • 15. The changing hydrogen-bond network of water from the bulk to the surface of a cluster: a born-oppenheimer molecular dynamics study.
    Galamba N, Cabral BJ.
    J Am Chem Soc; 2008 Dec 31; 130(52):17955-60. PubMed ID: 19049430
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  • 18. Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry.
    Miller Y, Thomas JL, Kemp DD, Finlayson-Pitts BJ, Gordon MS, Tobias DJ, Gerber RB.
    J Phys Chem A; 2009 Nov 19; 113(46):12805-14. PubMed ID: 19817362
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