| BCP | Bond Critical Point |
| CPMD | Car–Parrinello Molecular Dynamics |
| CVs | Collective Variables |
| DFT | Density Functional Theory |
| DORI | Density Overlap Regions Indicator |
| HB | Hydrogen Bond |
| IR | Infrared Spectroscopy |
| LBHB | Low-Barrier Hydrogen Bond |
| MD | Molecular Dynamics |
| NCI | Non-covalent Interactions Index |
| NMR | Nuclear magnetic resonance |
| PIMD | Path Integrals Molecular Dynamics |
| PT | Proton transfer |
| QTAIM | Quantum Theory of Atoms in Molecules |
| RCP | Ring Critical Point |
| RDG | Reduced Density Gradient |
| VDW | van der Waals |