| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384253 | Chemical Physics Letters | 2011 | 4 Pages |
Abstract
⺠Empirical valence bond molecular dynamics study of an SN2 reaction 'on water'. ⺠The activation free energy remains almost constant relative to that in bulk water, contrary to expectations. ⺠This is due to a clustering of water molecules around the nucleophile and weak hydration of the transition state.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Katherine V. Nelson, Ilan Benjamin,