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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Anharmonic rovibrational calculations of singlet cyclic C4 using a new ab initio potential and a quartic force field

Xiaohong Wang1, Xinchuan Huang2, Joel M Bowman1

  • 1Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.

The Journal of Chemical Physics
|December 17, 2013
PubMed

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