. 2011 Jan 24;134(4):044105. doi: 10.1063/1.3530094

Table 4.

Comparison of charging free energy $Δ G_{cg}^{s}$ of sodium ion computed in this work by the ICSM and SSBP model (Ref. ⁷⁰) with the values reported for systems of comparable dimensions by PME, straight cut-off method and finite-drop model (Ref. ⁴⁹).

Method∕model	$Δ G_{cg}^{s}$ (kJ∕mol)
ICSM (30 Å box)	−445
PME with P-type correction (Ref. ⁴⁹) (31.3 Å box)	−420
Straight cut-off with R_c =14 Å (Ref. ⁴⁹) (31.3 Å box)	−442
Finite droplet (Ref. ⁴⁹) (18 Å radius)	−429
SSBP (15 Å radius)	−388
Reference value (Ref. ⁴⁹)	−480