AIP Publishing

TABLE III.

E_NBrep parameters of the vdW energy term of the water model.

Atom i	Atom j	A (kcal/mol)	α	β	γ	n	η	δ
H	H	0.0212	−2.4002	10.5460	−0.8113	0.0014	−0.2607	−0.5640
O	O	0.0272	−3.6468	14.5278	−0.3235	0.0305	0.0331	−0.5688
O	H	0.0906	−3.1455	10.0823	−0.0007	−1.0000	0.0000	0.0000

Atom i	Atom j	A (kcal/mol)	α	β	γ	n	η	δ
H	H	0.0212	−2.4002	10.5460	−0.8113	0.0014	−0.2607	−0.5640
O	O	0.0272	−3.6468	14.5278	−0.3235	0.0305	0.0331	−0.5688
O	H	0.0906	−3.1455	10.0823	−0.0007	−1.0000	0.0000	0.0000