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The relation between the structure of the first solvation shell and the IR spectra of aqueous solutions
The spectroscopic signatures of solvated anions and cations, in the O-H stretch region of water, are studied using the POLIR potential. Shifts in the spectra are shown to correlate very well with the distribution of a particular hydrogen bond angle for the waters in the first solvation shell. The re...
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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Springer Netherlands
2011
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3285733/ https://ncbi.nlm.nih.gov/pubmed/23277671 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10867-011-9243-7 |
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