| BCP | bond critical point |
| BPL | bond path length |
| HacacMePz | 3-(1,3,5-trimethyl-1H-4-pyrazolyl)pentane-2,4-dione |
| Pz | pyrazole |
| QTAIM | Quantum Theory of Atoms in Molecules |
| SCXRD | single-crystal X-ray diffraction |
| TFDIB | 2,3,5,6-tetrafluoro-1,4-diiodobenzene |
| XB | halogen bond |
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