Skip to main content
. 2011 Jan 24;134(4):044105. doi: 10.1063/1.3530094

Table 1.

Electrostatic solvation energy ΔGcg (in kJ∕mol) of a sodium ion in water obtained in this work in simulation boxes of different sizes L. Finite-size corrections ΔGc are evaluated separately from the charging free energy ΔG cg s computed directly in the simulations (explained in the text).

L ( Å)
ΔG cg s
ΔGc
ΔGcg
30
−445
−64
−509
45
−457
−33
−490
60 −465 −20 −485