Figure 6.

Lowest-energy structures of $\mathrm{Ca}{\left({\mathrm{H}}_2\mathrm{O}\right)}_n^{+}$, n = 1 – 6, and $\mathrm{CaOH}{\left({\mathrm{H}}_2\mathrm{O}\right)}_n^{+}$, n = 1 – 5, at the B3LYP/6-311++G** level of theory. Point groups and inner-shell coordination geometries are included.