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DFT optimized structures of MFI (A) and CHA (B). Orientation of the bidentate ligands around the Cu-O-Cu plane in MFI (C) and CHA (D). HAA reaction coordinate of MFI (E, green) and CHA (E, purple). Values for E can be found in Table 2. Adapted with permission from ref 63. Copyright 2021 American Chemical Society.
