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Experimental and ab Initio Study of the HO 2 ·CH 3 OH Complex: Thermodynamics and Kinetics of Formation †

✍ Scribed by Christensen, Lance E.; Okumura, Mitchio; Hansen, Jaron C.; Sander, Stanley P.; Francisco, Joseph S.

Book ID
125898282
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
239 KB
Volume
110
Category
Article
ISSN
1089-5639

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## Abstract Kinetics for the reaction of OH radical with CH~2~O has been studied by single‐point calculations at the CCSD(T)/6‐311+G(3__df__, 2__p__) level based on the geometries optimized at the B3LYP/6‐311+G(3__df__, 2__p__) and CCSD/6‐311++G(__d__,__p__) levels. The rate constant for the reacti