Fig. 3: The structures of the cage-cage assembly and interaction energies analysis by DFT calculations. | Nature Communications

Fig. 3: The structures of the cage-cage assembly and interaction energies analysis by DFT calculations.

From: Chiral self-sorting and guest recognition of porous aromatic cages

Fig. 3

a Schematic representation of the interaction between cages and also between solvent molecules and cages in homochiral and heterochiral structures. b The interaction energies calculated at PBE0-D3/6-31 G(d,p) level for staking structures.

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