| Literature DB >> 20001016 |
F Lique1, M Jorfi, P Honvault, P Halvick, S Y Lin, H Guo, D Q Xie, P J Dagdigian, J Kłos, M H Alexander.
Abstract
We report extensive, fully quantum, time-independent (TID) calculations of cross sections at low collision energies and rate constants at low temperatures for the O+OH reaction, of key importance in the production of molecular oxygen in cold, dark, interstellar clouds and in the chemistry of the Earth's atmosphere. Our calculations are compared with TID calculations within the J-shifting approximation, with wave-packet calculations, and with quasiclassical trajectory calculations. The fully quantum TID calculations yield rate constants higher than those from the more approximate methods and are qualitatively consistent with a low-temperature extrapolation of earlier experimental values but not with the most recent experiments at the lowest temperatures.Entities:
Year: 2009 PMID: 20001016 DOI: 10.1063/1.3274226
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488