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. 2020 Feb 24;124(12):2380–2397. doi: 10.1021/acs.jpca.9b10880

Figure 5.

Figure 5

Optimized geometries for the minima and transition state involved in the twisted-Hückel/Möbius topology interconversion in [32]heptaphyrin. Such interconversion is triggered by rotation of the dihedral angle highlighted in red.