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Journal Abstract Search

293 related items for PubMed ID: 20866118

  • 1. 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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  • 5. The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.
    Viel A, Coutinho-Neto MD, Manthe U.
    J Chem Phys; 2007 Jan 14; 126(2):024308. PubMed ID: 17228955
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  • 6. 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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  • 7. 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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  • 10. Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters.
    Wang Y, Bowman JM.
    J Chem Phys; 2011 Apr 21; 134(15):154510. PubMed ID: 21513398
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  • 11. 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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  • 12. 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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  • 14. Communication: quasiclassical trajectory calculations of correlated product-state distributions for the dissociation of (H2O)2 and (D2O)2.
    Czakó G, Wang Y, Bowman JM.
    J Chem Phys; 2011 Oct 21; 135(15):151102. PubMed ID: 22029289
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  • 15. Communication: A new ab initio potential energy surface for HCl-H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction.
    Mancini JS, Bowman JM.
    J Chem Phys; 2013 Mar 28; 138(12):121102. PubMed ID: 23556702
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  • 16. The hydrogen abstraction reaction H + CH4. I. New analytical potential energy surface based on fitting to ab initio calculations.
    Corchado JC, Bravo JL, Espinosa-Garcia J.
    J Chem Phys; 2009 May 14; 130(18):184314. PubMed ID: 19449928
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