| X | Halogen |
| ESP | Electrostatic Potential |
| SAPT | Symmetry-Adapted Perturbation Theory |
| CSD | Cambridge Structural Database |
| COD | Crystallography Open Database |
| VASP | Vienna Ab initio Simulation Package |
| PES | Potential Energy Surface |
| NBO | Natural Bond Orbital |
| DFT | Density Functional Theory |
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