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Communication: A chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction

✍ Scribed by Li, Jun; Wang, Yimin; Jiang, Bin; Ma, Jianyi; Dawes, Richard; Xie, Daiqian; Bowman, Joel M.; Guo, Hua


Book ID
119967010
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
986 KB
Volume
136
Category
Article
ISSN
0021-9606

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The potential energy surface for the electronic ground state of CO 2 is refined by means of a two-step variational procedure using the exact rovibrational Hamiltonian in the bond length-bond angle coordinates. In the refinement, the observed rovibrational energy levels for J = 0-4 below 16,000 cm -1