Table 6.

Hydration Free Energies (kJ/mol) of 20 Salts with Different Charge Models

		0.766 e			0.804 e
ion	$\mathrm{\Delta }{G}_{\exp }^{\mathrm{\ominus },\ast }$	ΔGsim	$\mathrm{\Delta }{G}_{\mathrm{hyd}}^{\mathrm{\ominus },\ast }$	Err %	ΔGsim	$\mathrm{\Delta }{G}_{\mathrm{hyd}}^{\mathrm{\ominus },\ast }$	Err %
LiF	−1002.43	−601.12	−1018.30	1.58	−649.97	−1000.04	−0.24
LiCl	−877.13	−517.14	−873.62	−0.40	−560.47	−859.94	−1.96
LiBr	−863.92	−496.85	−838.67	−2.92	−537.51	−824.01	−4.62
LiI	−836.00	−477.37	−805.12	−3.69	−516.72	−791.46	−5.33
NaF	−894.65	−529.11	−894.25	−0.05	−575.78	−883.91	−1.20
NaCl	−769.35	−445.13	−749.57	−2.57	−486.28	−743.82	−3.32
NaBr	−756.14	−424.84	−714.62	−5.49	−463.32	−707.88	−6.38
NaI	−728.22	−405.36	−681.07	−6.48	−442.53	−675.33	−7.26
KF	−820.93	−492.03	−830.37	1.15	−533.50	−817.73	−0.39
KCl	−695.63	−408.05	−685.70	−1.43	−444.00	−677.63	−2.59
KBr	−682.42	−387.76	−650.75	−4.64	−421.04	−641.69	−5.97
KI	−654.50	−368.28	−617.19	−5.70	−400.25	−609.14	−6.93
RbF	−797.48	−478.45	−806.97	1.19	−518.62	−794.44	−0.38
RbCl	−672.18	−394.47	−662.30	−1.47	−429.12	−654.34	−2.65
RbBr	−658.97	−374.18	−627.35	−4.80	−406.16	−618.40	−6.16
RbI	−631.05	−354.70	−593.79	−5.90	−385.37	−585.85	−7.16
CsF	−773.38	−464.56	−783.05	1.25	−505.41	−773.76	0.05
CsCl	−648.08	−380.58	−638.37	−1.50	−415.91	−633.66	−2.22
CsBr	−634.87	−360.29	−603.42	−4.95	−392.95	−597.72	−5.85
CsI	−606.95	−340.81	−569.86	−6.11	−372.16	−565.18	−6.88