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. 2023 Apr 5;14:1883. doi: 10.1038/s41467-023-37538-1

Fig. 5. Computed energy profile of the proposed mechanism.

Fig. 5

Gibbs free energy profile (kcal/mol) at the SMD-B3LYP-D3/def2-TZVPP//B3LYP-D3/def2-SVP-SDD(Re) level for the ring-closing C–O/C–O σ-bond metathesis of 1a catalyzed with Re2O7.