Table 5.
# | Model name | VVDW Å3 |
SASexp Å2 |
Shid Å2 |
SASdrug % |
---|---|---|---|---|---|
1 | pc13-0-0 | 10039 | 6273 | 6471 | 48 |
2 | pc12-2-0-charge4 | 10580 | 6720 | 4097 | 69 |
2 | pc12-2-0-charge4prp | 10571 | 6855 | 5414 | 54 |
4 | pc9-2-2-charge4 | 12298 | 7365 | 7655 | 71 |
10 | pc10-2-2-charge4 | 12982 | 7439 | 7816 | 60 |
14 | pc12-1-1-charge2 | 11849 | 7283 | 7316 | 79 |
17 | pc11-1-1-charge2 | 11168 | 7233 | 6133 | 64 |