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A new (multi-reference configuration interaction) potential energy surface for H2CO and preliminary studies of

Xiaohong Wang1, Paul L Houston2,3, Joel M Bowman4

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

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|March 22, 2017
PubMed

Keywords:
RRKM theorykineticsquasi-classical trajectoriesroamingunimolecular reactions

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