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A quantum-chemical study on the Mannich reaction with polynitromethanes

✍ Scribed by He-Ming Xiao; Ze-Hua Tang

Book ID
112058832
Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
331 KB
Volume
7
Category
Article
ISSN
0256-7660

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## Abstract The reaction mechanism of OBrO with OH has been studied using the B3LYP/6‐311+G(d,p) and the high‐level electron‐correlation CCSD(T)/6‐311+G(d,p) at single‐point. The results show that the title reaction could probably proceed by four possible schemes, generating HOBr+O~2~, HBr+O~3~, Br