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. 2022 Jan 14;87(5):2356–2366. doi: 10.1021/acs.joc.1c02238

Figure 8.

Figure 8

Interaction energies between 3a3e monomers forming respective tail-to-tail and capsule-type dimers calculated at the B3LYP-GD3BJ/6-311G(d,p) level and the difference in interaction energies between tail-to-tail and capsule-type dimers (ΔE = Etail-to-tailEcapsule).