| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5390209 | Chemical Physics Letters | 2006 | 4 Pages |
Abstract
The possible mechanisms for the reaction of Lu+ with CH3F in the gas phase have been examined by DFT in both singlet and triplet electronic states. The PES crossing behaviour on the TS area analyzed by the two-state model indicates that the reactions on two PESs are strongly avoided crossing.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ze-Yu Liu, Yong-Cheng Wang, Zhi-Yuan Geng, Xiao-Yan Yang, Han-Qing Wang,