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. Author manuscript; available in PMC: 2021 Dec 7.
Published in final edited form as: Phys Chem Chem Phys. 2020 Dec 7;22(46):26652–26668. doi: 10.1039/d0cp04848h

Figure 8.

Figure 8.

Calculated vs. available experimental Fea3-O vibrational stretching modes for the DNC intermediate states. Reprinted with permission from Ref 59, copyright © 2019 American Chemical Society.