| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374728 | Chemical Physics | 2011 | 8 Pages |
Abstract
⺠Supercritical aqueous solutions are investigated through ab initio molecular dynamics. ⺠The ion-water structure and frequency-structure correlations are investigated. ⺠Stretch frequency of water in anion hydration shell is found to be lower than bulk value. ⺠Orientational relaxation, dynamics of hydrogen bonds and free OD groups are investigated. ⺠Dynamics of vibrational spectral diffusion is studied for hydration shell and bulk water.
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Authors
Bhabani S. Mallik, Amalendu Chandra,