| Molecule | E(H-bond) kcal/mol | H-bonds | H-bond strength kcal/mol |
| TNT | 20.9 | 6 | 3.5 |
| DADNE | 11.7 | 2 | 5.9 |
| CL-20 | 19.2 | 4 | 4.8 |
| DNT | 14.7 | 4 | 3.7 |
| HMX | 17.2 | 4 | 4.3 |
| HNS | 14.7 | 3 | 4.9 |
| NTO | 10.1 | 2 | 5.1 |
| PETN | 22.1 | 5 | 4.4 |
| RDX | 8.0 | 2 | 4.0 |
| TATB | 32.5 | 6 | 5.4 |
| TNB | 22.6 | 6 | 3.8 |
| TNR | 24.5 | 6 | 4.1 |
| BDNFA | 18.7 | 4 | 4.7 |
| BTTN | 17.9 | 4 | 4.5 |
| EGDN | 15.0 | 4 | 3.8 |
| K10A | 14.3 | 4 | 3.6 |
| K10B | 17.8 | 6 | 3.0 |
| MTN | 19.2 | 5 | 3.8 |
| NIMMO | 10.9 | 3 | 3.6 |
| NG | 22.6 | 6 | 3.8 |
| Tetryl | 20.6 | 5 | 4.1 |
| TNAZ | 15.9 | 5 | 3.2 |