Table 4. Moments-Based Descriptors for PETN and 2,4,6-TNT.
| μ̂1 (eV) | μ̂2 (eV2) | μ̂3/μ̂23/2 | s | |
|---|---|---|---|---|
| PETN | –6.43 | 14.01 | 0.62 | 1.02 |
| 2,4,6-TNT | –3.42 | 16.48 | 0.76 | 0.96 |
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