| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5391886 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
The gas-phase reaction of activation CO bond of CH3OCH3 by Ti+ has been investigated using DFT. CPs between quartet and doublet electronic states are localized. Two competitive reaction pathways, including the CP, are proposed from the most stable reactants to the most thermodynamically stable products.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yong-Cheng Wang, Ze-Yu Liu, Zhi-Yuan Geng, Xiao-Yan Yang,