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250 related items for PubMed ID: 21513398

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  • 3. Communication: rigorous calculation of dissociation energies (D0) of the water trimer, (H2O)3 and (D2O)3.
    Wang Y, Bowman JM.
    J Chem Phys; 2011 Oct 07; 135(13):131101. PubMed ID: 21992272
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  • 9. Communication: Prediction of the rate constant of bimolecular hydrogen exchange in the water dimer using an ab initio potential energy surface.
    Wang Y, Bowman JM, Huang X.
    J Chem Phys; 2010 Sep 21; 133(11):111103. PubMed ID: 20866118
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  • 10. On-the-fly ab intito calculations of anharmonic vibrational frequencies: local-monomer theory and application to HCl clusters.
    Mancini JS, Bowman JM.
    J Chem Phys; 2013 Oct 28; 139(16):164115. PubMed ID: 24182012
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  • 11. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y, Shepler BC, Braams BJ, Bowman JM.
    J Chem Phys; 2009 Aug 07; 131(5):054511. PubMed ID: 19673578
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  • 12. Quantum Calculations of Intramolecular IR Spectra of Ice Models Using Ab Initio Potential and Dipole Moment Surfaces.
    Liu H, Wang Y, Bowman JM.
    J Phys Chem Lett; 2012 Dec 20; 3(24):3671-6. PubMed ID: 26291094
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  • 18. O-H stretch modes of dodecahedral water clusters: a statistical ab initio study.
    Anick DJ.
    J Phys Chem A; 2006 Apr 20; 110(15):5135-43. PubMed ID: 16610836
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  • 19. Calculations of the IR spectra of bend fundamentals of (H2O)n=3,4,5 using the WHBB_2 potential and dipole moment surfaces.
    Wang Y, Bowman JM.
    Phys Chem Chem Phys; 2016 Sep 14; 18(34):24057-62. PubMed ID: 27523256
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  • 20. IR Spectra of the Water Hexamer: Theory, with Inclusion of the Monomer Bend Overtone, and Experiment Are in Agreement.
    Wang Y, Bowman JM.
    J Phys Chem Lett; 2013 Apr 04; 4(7):1104-8. PubMed ID: 26282028
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