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Journal Abstract Search

570 related items for PubMed ID: 21114302

  • 21. Liquid structures of water, methanol, and hydrogen fluoride at ambient conditions from first principles molecular dynamics simulations with a dispersion corrected density functional.
    McGrath MJ, Kuo IF, Siepmann JI.
    Phys Chem Chem Phys; 2011 Nov 28; 13(44):19943-50. PubMed ID: 21952178
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  • 22. Water: a responsive small molecule.
    Shultz MJ, Vu TH, Meyer B, Bisson P.
    Acc Chem Res; 2012 Jan 17; 45(1):15-22. PubMed ID: 22136280
    [Abstract] [Full Text] [Related]

  • 23. Water's non-tetrahedral side.
    Henchman RH, Cockram SJ.
    Faraday Discuss; 2013 Jan 17; 167():529-50. PubMed ID: 24640510
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  • 24. Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.
    Elsaesser T.
    Acc Chem Res; 2009 Sep 15; 42(9):1220-8. PubMed ID: 19425543
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  • 25. The OH stretch vibration of liquid water reveals hydrogen-bond clusters.
    Garrett-Roe S, Hamm P.
    Phys Chem Chem Phys; 2010 Oct 07; 12(37):11263-6. PubMed ID: 20676415
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  • 26. 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
    [Abstract] [Full Text] [Related]

  • 27. Hydrogen Bonding and Related Properties in Liquid Water: A Car-Parrinello Molecular Dynamics Simulation Study.
    Guardia E, Skarmoutsos I, Masia M.
    J Phys Chem B; 2015 Jul 23; 119(29):8926-38. PubMed ID: 25313871
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  • 30. Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations.
    Ruckenstein E, Shulgin IL, Tilson JL.
    J Phys Chem A; 2005 Feb 10; 109(5):807-15. PubMed ID: 16838951
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  • 35. Vibrational spectral diffusion in supercritical D2O from first principles: an interplay between the dynamics of hydrogen bonds, dangling OD groups, and inertial rotation.
    Mallik BS, Chandra A.
    J Phys Chem A; 2008 Dec 25; 112(51):13518-27. PubMed ID: 19093822
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  • 39. Insights into the ultraviolet spectrum of liquid water from model calculations.
    Cabral do Couto P, Chipman DM.
    J Chem Phys; 2010 Jun 28; 132(24):244307. PubMed ID: 20590193
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