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B3LYP-PCM/6-31G(2df, p) calculated spin density distributions of the excess electron in (H2O)4, (H2O)6 and (H2O)16. The yellow surface encloses 80% of the total spin density. Note that a significant amount of spin density is actually concentrated on oxygen atoms enclosing the cavity rather than between the water molecules. Reprinted with permission from reference [32]. Copyright, 2015, American Chemical Society.
