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. Author manuscript; available in PMC: 2023 Jul 21.
Published in final edited form as: Results Chem. 2023 Jan 5;5:100770. doi: 10.1016/j.rechem.2023.100770

Fig. 5.

Fig. 5.

Out-of-plane (e2u symmetry) of (a) PFB, (b) HFB and (c) dimer of 123TFB by TDDFT modeling for S1 state.