| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394908 | Computational and Theoretical Chemistry | 2011 | 10 Pages |
Abstract
⺠Compared to the uncatalyzed reaction, the mechanism changes in presence of [Bmim]OH has been investigated. ⺠Three mechanistic pathways are proposed and evaluated. ⺠The real active species is NHC, which plays a critical role in catalytic cycle. ⺠The SCRF calculations based on the PCM model were performed.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ying Ren, Ting-Ting Meng, Jianfeng Jia, Hai-Shun Wu,