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. 2022 May 12;13:2652. doi: 10.1038/s41467-022-30249-z

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Fig. 2 — Density functional theory calculations were performed at M06-2X/6-311 + G(d,p)/SMD(acetonitrile)//M06-2X/6-31 G(d) level of theory. The Z,E-alkene isomerization pathway is shown in blue. ∆G, change in Gibbs free energy; ∆H, change in enthalpy.