| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394508 | Computational and Theoretical Chemistry | 2012 | 6 Pages |
Abstract
⺠We have investigated the mechanism and its kinetic information of title reaction in the phase. ⺠The crossing points (CPs) are located, and the minimum energy reaction path was found. ⺠Because of the large SOC involved, the ISC occur effectively. ⺠The energetic span (δE) model coined by Kozuch was applied in this cycle, and the TDTS and TDI were confirmed.
Related Topics
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Physical and Theoretical Chemistry
Authors
Jian-Hui Zhang, Yong-Cheng Wang, Zhi-Yuan Geng,