Article ID Journal Published Year Pages File Type
5391833 Chemical Physics Letters 2006 4 Pages PDF
Abstract
Our ab initio solvation study of Mg2+, Ca2+ and Sr2+ with explicit solvent representation shows that Ca2+ and Sr2+ are more dynamically solvated than Mg2+; also, Sr2+ assumes an asymmetric position in the solvation cavity .
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water
Authors
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