Fig. 5: Binding energies of macrocycles.

Binding energies of different dimeric packing arrangements for DPA[3] (a–c) and DPA[4] (d–f) obtained from DFT calculation based on B97D3/cc-pVDZ level.
Binding energies of different dimeric packing arrangements for DPA[3] (a–c) and DPA[4] (d–f) obtained from DFT calculation based on B97D3/cc-pVDZ level.