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364 related items for PubMed ID: 17029453

  • 1. The calculated infrared spectrum of Cl-H2O using a new full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker J, Bowman JM.
    J Chem Phys; 2006 Oct 07; 125(13):133206. PubMed ID: 17029453
    [Abstract] [Full Text] [Related]

  • 2. The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface.
    Rheinecker JL, Bowman JM.
    J Chem Phys; 2006 Apr 07; 124(13):131102. PubMed ID: 16613440
    [Abstract] [Full Text] [Related]

  • 3. Ab initio potential energy and dipole moment surfaces for H5O2 +.
    Huang X, Braams BJ, Bowman JM.
    J Chem Phys; 2005 Jan 22; 122(4):44308. PubMed ID: 15740249
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  • 4. Ab initio potential energy and dipole moment surfaces of (H2O)2.
    Huang X, Braams BJ, Bowman JM.
    J Phys Chem A; 2006 Jan 19; 110(2):445-51. PubMed ID: 16405316
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  • 5. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G, Braams BJ, Bowman JM.
    J Phys Chem A; 2008 Aug 14; 112(32):7466-72. PubMed ID: 18651724
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  • 6. An ab initio potential surface describing abstraction and exchange for H+CH4.
    Zhang X, Braams BJ, Bowman JM.
    J Chem Phys; 2006 Jan 14; 124(2):021104. PubMed ID: 16422563
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  • 7. Potential energy surface and MULTIMODE vibrational analysis of C2H3+.
    Sharma AR, Wu J, Braams BJ, Carter S, Schneider R, Shepler B, Bowman JM.
    J Chem Phys; 2006 Dec 14; 125(22):224306. PubMed ID: 17176140
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  • 9. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer.
    Wang Y, Huang X, Shepler BC, Braams BJ, Bowman JM.
    J Chem Phys; 2011 Mar 07; 134(9):094509. PubMed ID: 21384987
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  • 15. New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.
    Huang X, Braams BJ, Bowman JM, Kelly RE, Tennyson J, Groenenboom GC, van der Avoird A.
    J Chem Phys; 2008 Jan 21; 128(3):034312. PubMed ID: 18205503
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  • 16. Accurate ab initio and "hybrid" potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer.
    Shank A, Wang Y, Kaledin A, Braams BJ, Bowman JM.
    J Chem Phys; 2009 Apr 14; 130(14):144314. PubMed ID: 19368452
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  • 17. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN, Zheng J, Lin H, Jensen P, Thiel W.
    J Chem Phys; 2005 Oct 01; 123(13):134308. PubMed ID: 16223289
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  • 18. Ab initio global potential-energy surface for H5(+) --> H3(+) + H2.
    Xie Z, Braams BJ, Bowman JM.
    J Chem Phys; 2005 Jun 08; 122(22):224307. PubMed ID: 15974668
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  • 19. Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO.
    McCoy AB, Fry JL, Francisco JS, Mollner AK, Okumura M.
    J Chem Phys; 2005 Mar 08; 122(10):104311. PubMed ID: 15836319
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  • 20. Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex.
    Kamarchik E, Toffoli D, Christiansen O, Bowman JM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Feb 05; 119():59-62. PubMed ID: 23756053
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