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428 related items for PubMed ID: 15740249

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. An ab initio based global potential energy surface describing CH5+ --> CH3+ + H2.
    Jin Z, Braams BJ, Bowman JM.
    J Phys Chem A; 2006 Feb 02; 110(4):1569-74. PubMed ID: 16435818
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. 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
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. 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
    [Abstract] [Full Text] [Related]

  • 9. Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach.
    Brown A, McCoy AB, Braams BJ, Jin Z, Bowman JM.
    J Chem Phys; 2004 Sep 01; 121(9):4105-16. PubMed ID: 15332956
    [Abstract] [Full Text] [Related]

  • 10. Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl.
    Sharma AR, Braams BJ, Carter S, Shepler BC, Bowman JM.
    J Chem Phys; 2009 May 07; 130(17):174301. PubMed ID: 19425770
    [Abstract] [Full Text] [Related]

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  • 14. Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC+.
    Li H, Hirano T, Amano T, Le Roy RJ.
    J Chem Phys; 2008 Dec 28; 129(24):244306. PubMed ID: 19123506
    [Abstract] [Full Text] [Related]

  • 15. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.
    Wang Y, Braams BJ, Bowman JM, Carter S, Tew DP.
    J Chem Phys; 2008 Jun 14; 128(22):224314. PubMed ID: 18554020
    [Abstract] [Full Text] [Related]

  • 16. Ab initio based potential energy surfaces and Franck-Condon analysis of ionization thresholds of cyclic-C3H and linear-C3H.
    Wang Y, Braams BJ, Bowman JM.
    J Phys Chem A; 2007 May 17; 111(19):4056-61. PubMed ID: 17253675
    [Abstract] [Full Text] [Related]

  • 17. Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane.
    Oyanagi C, Yagi K, Taketsugu T, Hirao K.
    J Chem Phys; 2006 Feb 14; 124(6):64311. PubMed ID: 16483211
    [Abstract] [Full Text] [Related]

  • 18. 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
    [Abstract] [Full Text] [Related]

  • 19. 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
    [Abstract] [Full Text] [Related]

  • 20. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
    Tasić U, Alexeev Y, Vayner G, Crawford TD, Windus TL, Hase WL.
    Phys Chem Chem Phys; 2006 Oct 28; 8(40):4678-84. PubMed ID: 17047766
    [Abstract] [Full Text] [Related]

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