| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394758 | Computational and Theoretical Chemistry | 2012 | 6 Pages |
Abstract
⺠DFT study of the spin-forbidden reaction of N2O and CO catalyzed by Co+. ⺠Reactions (2) and (3) are typical “two-state reactivity” (TSR) reactions, two crossing points (CP1 and CP2) are involved. ⺠The Co+ can work as a catalyst thanks to the two state reactivity phenomenons. âºBecause of the large SOC involved, the ISC occur effectively.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yong-Chun Tong, Qing-Yun Wang, Xin-Jian Xu, Yong-Cheng Wang,