| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394631 | Computational and Theoretical Chemistry | 2012 | 12 Pages |
Abstract
⺠Microhydration of Sarin involves hydrogen bonding between PO and water. ⺠At higher hydration levels the hydrogen bonding environment is highly varied and complex. ⺠The torsional configurations of Sarin have different water adsorption energies. ⺠The mixed cluster/continuum model was unsuccessful in predicting solvation free energies.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Todd M. Alam, Charles J. Pearce, Janelle E. Jenkins,