| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394795 | Computational and Theoretical Chemistry | 2012 | 7 Pages |
Abstract
⺠The mechanism of the title reaction has been carried out at MP2 and CCSD(T) levels. ⺠Two kinds of hydrogen abstraction and addition/elimination channels were considered. ⺠The results are in good agreement with available experimental value.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yunju Zhang, Jingyu Sun, Kai Chao, Fang Wang, ShuWei Tang, Xiumei Pan, Jingping Zhang, Hao Sun, Rongshun Wang,