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Hydrogen Bonding and Infrared Spectra of Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/Water Mixtures: A View from Molecular Dynamics Simulations

[Image: see text] Simulations of ab initio molecular dynamics have been performed for mixtures of ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMIM-TFSI) ionic liquid and water. Statistics of donors and acceptors of hydrogen bonds has revealed that with increasing water content, hydr...

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Detalles Bibliográficos
Autores principales:	Wróbel, Piotr, Kubisiak, Piotr, Eilmes, Andrzej
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9806834/ https://www.ncbi.nlm.nih.gov/pubmed/36516319 http://dx.doi.org/10.1021/acs.jpcb.2c06947

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