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Journal Abstract Search

271 related items for PubMed ID: 27673756

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  • 6. "Plug and play" full-dimensional ab initio potential energy and dipole moment surfaces and anharmonic vibrational analysis for CH4-H2O.
    Qu C, Conte R, Houston PL, Bowman JM.
    Phys Chem Chem Phys; 2015 Mar 28; 17(12):8172-81. PubMed ID: 25726765
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  • 13. IR Spectra of (HCOOH)2 and (DCOOH)2: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment Surfaces.
    Qu C, Bowman JM.
    J Phys Chem Lett; 2018 May 17; 9(10):2604-2610. PubMed ID: 29709189
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  • 14. An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces.
    Qu C, Bowman JM.
    Phys Chem Chem Phys; 2016 Sep 14; 18(36):24835-24840. PubMed ID: 27722444
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  • 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
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  • 17. Benchmark Electronic Structure Calculations for H3O+(H2O) n, n = 0-5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction.
    Heindel JP, Yu Q, Bowman JM, Xantheas SS.
    J Chem Theory Comput; 2018 Sep 11; 14(9):4553-4566. PubMed ID: 30103598
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