TABLE II.
E
NBatt
parameters of the vdW energy term of the water model.
Atom
i
.
Atom
j
.
R
e
(Å)
.
C
6
[(kcal Å
6
)/mol]
.
H
H
3.2692
239.4803
O
O
2.9938
634.7066
O
H
3.1285
389.8714
Atom
i
.
Atom
j
.
R
e
(Å)
.
C
6
[(kcal Å
6
)/mol]
.
H
H
3.2692
239.4803
O
O
2.9938
634.7066
O
H
3.1285
389.8714
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