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Explanation of the unusual temperature dependence of the atmospherically important OH + [H.sub.2]S -> [H.sub.2]O + HS reaction and prediction of the rate constant at combustion temperatures
- Source :
- Journal of the American Chemical Society. Oct 24, 2007, Vol. 129 Issue 42, 12765-12771
- Publication Year :
- 2007
-
Abstract
- The rate constants for the OH + [H.sub.2]S -> [H.sub.2]O + HS reaction are calculated by direct dynamics with the M06-2X density functional theory. The rate constants are important for both atmospheric chemistry and combustion, while the temperature dependence is accounted for even in the context of a simple abstraction reaction.
Details
- Language :
- English
- ISSN :
- 00027863
- Volume :
- 129
- Issue :
- 42
- Database :
- Gale General OneFile
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.171999981