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- W1569452392 abstract "Here we present a study to investigate further the influence of a model assuming a rigid hexahydrate for ion solvation, compared to fully relaxed studies having polarization and nonadditive effects. It is found that the model is suited for ions that really have a depletion layer after their first hydration shell, otherwise the model will impose it. In particular, small distortions in the Zn2+ hexahydrate lead to small modifications of the enthalpy, but there are other effects that lead to an appreciable difference in the predicted hydration energy of the ion." @default.
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- W1569452392 date "1998-01-22" @default.
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- W1569452392 title "Comment on “Examining the influence of the [Zn(H2O)6]2+ geometry change on the Monte Carlo simulations of Zn2+ in water” [J. Chem. Phys. <b>105</b>, 5968 (1996)]" @default.
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- W1569452392 doi "https://doi.org/10.1063/1.475354" @default.
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