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. 2019 Sep 17;25(57):13164–13175. doi: 10.1002/chem.201902461

Figure 2.

Figure 2

Excited‐state splitting of 2 in C 3 and C 1 symmetry with respect to 1. The natural‐transition orbitals (NTOs) of S1←S0, S2←S0 and S3←S0 are depicted from TD‐DFT calculations in the gas phase.