| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374123 | Chemical Physics | 2013 | 9 Pages |
Abstract
⺠Ab initio simulations are performed for water containing bromide ions of varying concentration. ⺠Frequency-structure correlations of water in Brâ hydration shells are investigated. ⺠Dynamics of hydrogen bonds, frequency fluctuations and diffusion of water are looked at. ⺠Spectral hole dynamics calculations are performed for stretch modes of water in hydration shells. ⺠Links between the dynamics of hydrogen bonds and other modes with spectral diffusion are discussed.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Anwesa Karmakar, Jyoti Roy Choudhuri, Vivek K. Yadav, Bhabani S. Mallik, Amalendu Chandra,