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Theoretical study on the mechanism of CH3NH2and O3atmospheric reaction

✍ Scribed by SAMIRA VALEHI,MORTEZA VAHEDPOUR

Book ID
126364053
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
2014
Tongue
English
Weight
867 KB
Volume
126
Category
Article
ISSN
0253-4134

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## Abstract The complex doublet potential energy surface of the CH~2~NO~2~ system is investigated at the B3LYP/6‐31G(d,p) and QCISD(T)/6‐311G(d,p) (single‐point) levels to explore the possible reaction mechanism of the triplet CH~2~ radical with NO~2~. Forty minimum isomers and 92 transition states