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A Multidimensional Study of the Reaction CH2I+O2: Products and Atmospheric Implications

โœ Scribed by Dr. Tom J. Gravestock; Dr. Mark A. Blitz; Dr. William J. Bloss; Prof. Dwayne E. Heard


Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
537 KB
Volume
11
Category
Article
ISSN
1439-4235

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## Abstract The reactants, products, and transition states of the CH~2~O + NO~2~ reaction on the ground electronic potential energy surface have been searched at both B3LYP/6โˆ’311+G(d,p) and MPW1PW91/6โˆ’311+G(3df,2p) levels of theory. The forward and reverse barriers are further improved by a modifie