ESPs parameter of FMTNTa.
| Compd | FMTNT |
|---|---|
| A/Å2 | 225.6075 |
| A +/Å2 | 114.6023 |
| A −/Å2 | 111.0052 |
| A +/A− | 1.0324 |
| V s +/(kcal mol−1) | 20.4765 |
| V s −/(kcal mol−1) | −11.7403 |
A the total surface area; A+ the surface area of the positive charge; A− the surface area of the negative charge; Vs+ the strength of the electrostatic potential in the positive charge region; Vs− the strength of the electrostatic potential in the negative charge region.