Empirical | Chemical Name | Expt. |
PM7 |
PM6 |
RM1 |
PM3 |
AM1 |
MNDOD |
MNDO |
C2H4SO | Thiolacetic acid | 9.70 |
-0.02 |
0.16 |
0.43 |
0.35 |
0.32 |
-0.04 |
0.83 |
C2H6SO | Dimethyl sulfoxide | 9.01 |
-0.39 |
-0.65 |
0.08 |
0.35 |
0.52 |
0.14 |
0.79 |