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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

Authors :
Ellingson, Benjamin A.
Truhlar, Donald G.
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