| al | 1,2,3-alternate |
| BCX | hexa-p-tert-butylcalix[6]arene |
| CBS | Complete Basis Set |
| CCSD(T) | coupled cluster singles and doubles with perturbative triples correction |
| CSD | Cambridge Structural Database |
| CX | calix[6]arene |
| DF | density fitting |
| DFT | Density-Functional Theory |
| DFT+D | Density-Functional Theory with dispersion correction |
| FF | Finite-field |
| F-SAPT | Functional-group SAPT |
| I-SAPT | Intramolecular SAPT |
| HF | Hartree-Fock |
| MP2 | Møller-Plesset theory to the second order |
| pc | pinched-cone |
| SAPT | Symmetry-Adapted Perturbation Theory |
| SMFA | Systematic Molecular Fragmentation by Annihilation |
| SSMF | Symmetrized Systematic Molecular Fragmentation |
| SCS-MP2 | spin-component-scaled MP2 |
| wc | winged-cone |
| ZPVE | zero-point vibrational energy |