The relation between the structure of the first solvation shell and the IR spectra of aqueous solutions
Journal of Biological Physics, ISSN: 0092-0606, Vol: 38, Issue: 1, Page: 75-83
2012
- 9Citations
- 61Usage
- 16Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Metrics Details
- Citations9
- Citation Indexes9
- CrossRef6
- Usage61
- Downloads61
- Captures16
- Readers16
- 16
Article Description
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 results indicate that the spectral shifts might be predicted from MD simulations in a computationally convenient fashion, avoiding an explicit calculation of the spectra, as first suggested by Sharp et al. (J Chem Phys 114(4):1791-1796, 2001). © 2011 Springer Science+Business Media B.V.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84857650583&origin=inward; http://dx.doi.org/10.1007/s10867-011-9243-7; http://www.ncbi.nlm.nih.gov/pubmed/23277671; http://link.springer.com/10.1007/s10867-011-9243-7; https://repository.lsu.edu/chemistry_pubs/624; https://repository.lsu.edu/cgi/viewcontent.cgi?article=1624&context=chemistry_pubs; https://digitalcommons.lsu.edu/chemistry_pubs/624; https://digitalcommons.lsu.edu/cgi/viewcontent.cgi?article=1624&context=chemistry_pubs; http://www.springerlink.com/index/10.1007/s10867-011-9243-7; http://www.springerlink.com/index/pdf/10.1007/s10867-011-9243-7; https://dx.doi.org/10.1007/s10867-011-9243-7; https://link.springer.com/article/10.1007/s10867-011-9243-7; http://link.springer.com/article/10.1007%2Fs10867-011-9243-7; https://link.springer.com/content/pdf/10.1007%2Fs10867-011-9243-7.pdf
Springer Science and Business Media LLC
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