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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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Библиографические подробности
Главные авторы: Kumar, Revati, Keyes, Tom
Формат: Artigo
Язык:Inglês
Опубликовано: Springer Netherlands 2011
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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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