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. Author manuscript; available in PMC: 2021 Aug 12.
Published in final edited form as: J Am Chem Soc. 2020 Jul 30;142(32):13917–13933. doi: 10.1021/jacs.0c06243

Figure 4.

Figure 4.

Free energy network encompassing all four isomeric forms of TS4. Free energies (M06) given in kcal/mol with free energies calculated at the DLPNO-CCSD(T) level in brackets.