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Computed reaction profile for the process involving 1a' and dirhodium-bound carbene 5-Rh2. Relative free energies (ΔG, computed at 298.15 K and 1 M) and bond distances are given in kcal/mol and angstroms, respectively. All data have been computed at the SMD-B3LYP-D3/def2-SVP level.
