Table 3 Newly derived torsional parameters for phenylpyrroles
From: Accuracy evaluation and addition of improved dihedral parameters for the MMFF94s
TT-I-J-K-L | V1, V2, V3 |
|---|---|
1-0-37-39-0 | 0.0, 2.6, 0.0 |
From: Accuracy evaluation and addition of improved dihedral parameters for the MMFF94s
TT-I-J-K-L | V1, V2, V3 |
|---|---|
1-0-37-39-0 | 0.0, 2.6, 0.0 |