Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 29(19), p. 18924-18937, 2017
DOI: 10.1039/c7cp03717a
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The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood–Buff approaches
Journal article published in 2017 by
Takeshi Kobayashi,
Joshua E. S. J. Reid 
,
Seishi Shimizu ,
Maria Fyta ,
Jens Smiatek
,
Seishi Shimizu ,
Maria Fyta ,
Jens Smiatek
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Abstract
Atomistic molecular dynamics simulations of aqueous ionic liquid mixtures were performed in order to compare the resulting Kirkwood–Buff integrals with experimental data and the corresponding integrals derived by an inverse Kirkwood–Buff approach.