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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 7.

Figure 7.

Our quantum cluster model for state A of the DNC, built from the X-ray crystal structure 3S8G of ba3 CcO from Tt.14 For more visibility, some apolar or link H atoms are not shown on the picture. Taken with permission from Figure 3 of Ref 59, copyright © 2019 American Chemical Society.