| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379374 | Chemical Physics Letters | 2016 | 7 Pages |
Abstract
- The TST, the IMM, the RF approaches and GH theory are used to compute rate constants.
- Solvent coupling was found to dominate, resulting in a small transmission coefficient.
- We predict a positive activation volume for the methanol exchange process.
- The dynamics features and pressure dependence are recovered from a GLE description.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Liem X. Dang, Gregory K. Schenter,