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Contour plots of NOCV deformation densities Δρ and associated energies ΔE(ρ) (computed at the ZORA-B3LYP-D3/TZ2P//PCM(DCM)-B3LYP-D3/def2-SVP level) for the (a) uncatalyzed and (b) cat1-catalyzed DA reactions between cyclohexadiene and methyl vinyl ketone computed at the same consistent C···C bond-forming distance of 2.1 Å. Electron-density charge flow: red → blue.
