| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384186 | Chemical Physics Letters | 2011 | 4 Pages |
Abstract
⺠Probable dissociation mechanisms for surface silanol groups have been examined. ⺠An 'orthosilicic acid molecule + four water molecules' was taken as an example. ⺠Three water molecules are capable to stabilize an ion-pair structure. ⺠The use of DFT/PCM method results in the values closest to the experimental one.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
E. Demianenko, M. Ilchenko, A. Grebenyuk, V. Lobanov,