Article ID Journal Published Year Pages File Type
5412632 Journal of Molecular Liquids 2011 6 Pages PDF
Abstract
► QMCF MD simulation was performed for studying aqueous Hg2+ solution. ► The 6-fold coordinated complex is dominantly found in aqueous solution. ► Other species, such as the 7-fold coordinated complex, can transiently be formed. ► Water exchange processes relate to an associative interchange (Ia) mechanism.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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