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Mercury and Reactive Halogens: The Thermochemistry of Hg + {Cl2, Br2, BrCl, ClO, and BrO}.

โœ Scribed by Nikolai B. Balabanov; Kirk A. Peterson


Publisher
John Wiley and Sons
Year
2003
Weight
52 KB
Volume
34
Category
Article
ISSN
0931-7597

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The mechanisms of the SH (SD) radicals with Cl2 (R1), Br2 (R2), and BrCl (R3) are investigated theoretically, and the rate constants are calculated using a dual-level direct dynamics method. The optimized geometries and frequencies of the stationary points are calculated at the MP2/6-311G(d,p) and M