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436 related items for PubMed ID: 18298132

  • 1. MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces.
    Wang Y, Carter S, Braams BJ, Bowman JM.
    J Chem Phys; 2008 Feb 21; 128(7):071101. PubMed ID: 18298132
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  • 2. 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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  • 4. 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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  • 6. 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
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  • 9. New results for the OH (nu = 0,j = 0) + CO (nu = 0,j = 0) --> H + CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces.
    Valero R, McCormack DA, Kroes GJ.
    J Chem Phys; 2004 Mar 01; 120(9):4263-72. PubMed ID: 15268595
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  • 11. 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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  • 12. 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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  • 14. 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
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  • 15. Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes.
    Makarewicz J.
    J Chem Phys; 2008 Nov 14; 129(18):184310. PubMed ID: 19045406
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