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. 2021 Apr 28;33(9):3066–3080. doi: 10.1021/acs.chemmater.0c03783

Figure 4.

Figure 4

Comparison of the rocking angle against the fixed C–N–C–C dihedral angle (τ) related to D–A N–C bond rotation for 1a in the S0 ground and S1 excited states at CAM-B3LYP/6-31G(d).