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. 2018 Jan 31;9(10):2655–2665. doi: 10.1039/c7sc04905f

Fig. 4. Top: DLPNO-CCSD(T)/aug-cc-pVTZ interaction energies (kcal mol–1) as a function of intermolecular separation of cation–π complexes. Minimum energies (Emin) and equilibrium separations (Rz) shown. Bottom: NCI isosurfaces at the minimum energy separations.

Fig. 4