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. 2018 Nov 9;10(3):918–929. doi: 10.1039/c8sc02599a

Fig. 7. M06L/def2-TZVPP Gibbs free energy (ΔG) profile for dinuclear dissociative (right) and associative (left) pathways. Isolated species are shown in yellow boxes, with L′ depicted instead of LtBu. *Marked species has lower relative free energy on the S = 0 surface which has been taken to complete the profile.

Fig. 7