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. 2022 Oct 13;88(15):10381–10402. doi: 10.1021/acs.joc.2c01903

Figure 8.

Figure 8

(A) HS mapped over dnorm with a fixed color scale in the range −0.5808 au (red) to 2.9223 au (blue), based on the length of the intermolecular contacts with respect to the sum of the van der Waals radii (red: shorter; blue: longer; white: same). (B) HS mapped over the shape index (color scale: −0.9973 to 0.9977 au). Blue areas represent bumps, and red regions indicate hollows. (C) HS mapped over the curvedness (color scale: −4.4169 to 0.8187 au). Green represents flat regions, and blue indicates edges.