## Abstract The reaction mechanism of OBrO with OH has been studied using the B3LYP/6β311+G(d,p) and the highβlevel electronβcorrelation CCSD(T)/6β311+G(d,p) at singleβpoint. The results show that the title reaction could probably proceed by four possible schemes, generating HOBr+O~2~, HBr+O~3~, Br
Quantum chemical study on a new mechanism of one-carbon unit transfer reaction: The water-assisted mechanism
β Scribed by Qing-An Qiao; Zheng-Ting Cai; Da-Cheng Feng
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 184 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0256-7660
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