| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374271 | Chemical Physics | 2012 | 8 Pages |
Abstract
⺠Proton exchange in acid-base complexes is studied. ⺠The structures, binding energies, and normal mode vibrations are calculated. ⺠Transition state structures of proton exchange mechanism are determined. ⺠In the complexes studied, the reaction coordinate involves heavy atom rocking. ⺠The reaction coordinate is not simply localized in the proton movements.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Saman Alavi, Mahdi Taghikhani,