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. 2021 Aug 10;12(36):12138–12148. doi: 10.1039/d1sc03631a

Fig. 6. Free energy of reaction (DLPNO-CCSD(T)/cc-pV(D-T)Z CBS//M06-2X-D3/6-31G(d,p)) leading from diazirine starting materials to the corresponding singlet or triplet carbene. Refer to Fig. S4 for an equivalent plot where the same y-axis is used for each panel.

Fig. 6