Figure 7.

Lowest-energy structure of $\mathrm{Mg}{\left({\mathrm{H}}_2\mathrm{O}\right)}_n^{+}$, n = 1 – 6, at the B3LYP/6-311++G** level of theory. Two higher-energy structures of $\mathrm{Mg}{\left({\mathrm{H}}_2\mathrm{O}\right)}_6^{+}$ are included for comparison. Point groups and inner-shell coordination geometries are included.