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Density functional calculations at three different levels of theory (B3LYP/LANL2DZp, B3LYP‐GD3/LANL2DZp, and ωB97XD/def2tzvp) were applied to different conformers of the Lehn‐type macrobicyclic polyether cryptate complex [K ⊂ [2.2.2]]+ to construct the enantiomerization pathway and to compute the energy barrier for the change in symmetry. Changes in the conformation of the investigated complex are...