The variety in the spread of the sSAPT0 components for the QUID equilibrium dimers is shown in a stacked histogram in Fig. ). This showcases the diversity as a result of the different chemical environments and NCI types (see the associated NCI-plots in Fig. of the SI). Notably, the dispersion and electrostatic terms are strongly represented (see also Fig. )), while the induction contribution is the smallest, about 15-20% of the total value of E int . This indicates a supplemental role of the polarization effects on one monomer as a result of permanent dipoles of the other, with the imidazole-based dimers consistently having larger induction components compared to their benzene counterparts when settled in the same environment. For 9 dimers, electrostatics are the dominant term (see Fig. in SI), being particularly strong for the SF1I2 dimer. Such strong electrostatics are rare in the QUID systems as seen in Fig. ), where single outliers are seen for electrostatic contributions higher than -14 kcal/mol, while there is a skew towards smaller values in the range -8.0 to -4.0 kcal/mol. All 9 electrostatic-dominant cases involve imidazole as the small monomer. This is consistent with the presence of the two N atoms and their lone pair orbitals, capable of forming H-bonds and dipole-dipole interactions. For SF1I2, also a sulphonyl group is found near the binding site (see Fig. in SI), and the amino H atom in imidazole is interacting with the SO 2 functional group, possibly forming an H-bond, in addition to the second H-bond between the imidazole and an amino group in the large monomer. Dispersion is the dominant component for the other 33 equilibrium dimers, as expected given the choice of binding sites (pre-optimization) on accessible aromatic rings arranged for π-π stacking. The spreads of the electrostatic and dispersion components are contrasted against the E int spread in Fig. ). In considering the distribution, one should keep in mind that the positive (repulsive) exchange contributions arising from the overlap of the wavefunctions of the monomers within the S 2 approximation result in a partial offset of the negative components. E int ranges from -8 to -20 kcal/mol, clearly larger than π-π stacked or single H-bonds in small dimers, which usually contribute between -2 to -8 kcal/mol to the interaction energy . Furthermore, the dispersion component around -10 kcal/mol is larger than that obtained in a benzene dimer around -5 kcal/mol . Some dimers can also depict mixed NCI character, e.g. both an H-bond and ππ stacking in F1I3, or both sandwich ππ stacking and T-shaped interaction of aromatic groups simultaneously in F1I1. Therefore, we can conclude that the ligand binding is enhanced due to the collective interactions with the pocket with SAPT characterizing the specifics of those interactions and also revealing the complexity of the physical interactions of the QUID systems.