Table 3.

Ligand Exchange for Reduced Charge Models of Mg Ion Solvated in TIP3P Water

Mg charge (e)	$G_{\text{dis}}^{\#}(\text{kcal}/\text{mol})$	$K_{\text{exch}}^{\text{MD}}({\mathrm{s}}^{-1})$	k0 (s−1)
1.3	4.7	3.4 × 109	1.0 × 1013
1.4	5.8	5.7 × 108	1.1 × 1013
1.5	7.2	3.4 × 107	0.6 × 1013