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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 19(23), p. 11196-11210, 2021
DOI: 10.1039/d1cp00409c
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The many-body expansion for aqueous systems revisited: III. Hofmeister ion–water interactions
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Abstract
We report a Many Body Energy (MBE) analysis of aqueous ionic clusters containing kosmotropic and chaotropic anions and cations at the two opposite ends of the Hofmeister series to quantify how these ions alter the interaction between the water molecules in their immediate surroundings.