TABLE VI.
The parameters of the angle energy (
E
angle
) term.
Angle type
.
C
(kcal/mol)
.
θ
0
(degrees)
.
a
.
b
.
H–O–H
31.6132
98.8511
3.3562
3.8453
Angle type
.
C
(kcal/mol)
.
θ
0
(degrees)
.
a
.
b
.
H–O–H
31.6132
98.8511
3.3562
3.8453
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