| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395106 | Computational and Theoretical Chemistry | 2011 | 8 Pages |
Abstract
⺠The reactions are typical “two-state reactivity” (TSR) reaction. ⺠Reactions have different mechanisms on their different PES. ⺠The computed SOC are strong in these regions for the MECP. ⺠Intersystem crossing takes place with a large probability. ⺠Here are no rate-determining steps, but there are rate determining states.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jing-Yan Nian, Jia Wang, Yong-Cheng Wang,