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. 2018 Mar 27;9(15):3844–3855. doi: 10.1039/c8sc00560e

Fig. 8. Top: proposed mechanism for the transformation of E-4a to cis-4c. Bottom: relative energies of the various species involved in the transformation calculated at the M06-2X/6-31+g(d,p) level of theory, as well as the experimentally determined activation barrier for 4b to 4c isomerization in C6D6.

Fig. 8