Table 4. Energy Decomposition Analysis for XoxF–Ion Interactions^a.

contribution	Ca2+	La3+
electrostatics	–837.14	–1254.45
exchange	–37.85	–98.65
repulsion	96.78	241.83
polarization	–180.70	–389.85
correlation	12.82	1.05
desolvation	890.15	1412.88
all favorable	–1055.69	–1742.95
electrostatic (%)	79	72
polarization (%)	17	22
exchange (%)	4	6

^aAll values in kcal mol^–1.