| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394375 | Computational and Theoretical Chemistry | 2013 | 4 Pages |
Abstract
⺠We analyse the effects of the C-H stretch excitation on the reactivity of the H + CHD3 reaction. ⺠We employed a recent ab initio based potential energy surface, PES-2009. ⺠When the C-H stretch mode is excited, the overall enhancement we obtain is 3.4. ⺠We found an enhancement of 7.2 and 1.2 for the H and D channels, respectively.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Joaquin Espinosa-Garcia, Jose C. Corchado,