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Combined ELF/NCI surfaces for the TS structures for the rate-limiting step in Scheme 1c. (a) GP, (b) DCM, (c) Configuration C1, (d) Configuration C2. The isovalue for ELF was 0.83, and for NCI it was 0.5, with a color scale of −0.05 au < sign(2) < 0.05 au.
