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Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations

[Image: see text] This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using molecular simulations. The spectrum of intermolecular vibrations in liquid solvents provides detailed information on the shape o...

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發表在:J Chem Theory Comput
Main Authors: Persson, Rasmus A. X., Pattni, Viren, Singh, Anurag, Kast, Stefan M., Heyden, Matthias
格式: Artigo
語言:Inglês
出版: American Chemical Society 2017
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC5607457/
https://ncbi.nlm.nih.gov/pubmed/28783431
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00184
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