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. 2025 May 14;16(25):11539–11547. doi: 10.1039/d5sc01958c

Fig. 2. Calculated HOMO and LUMO distributions, energy level gaps, oscillator strengths, excited state energies and associated SOC matrix elements for (a) Spiro-3TCzBN, (b) DPh-3TCzBN and (c) DMe-3TCzBN, respectively, at the B3LYP/6-311G (d, p) level.

Fig. 2