Figure 4
Frontier molecular orbitals, HOMO-1 and LUMO, for the BBPC chromophore based on TDDFT/B3LYP/6-31 + G(d)/IEF-PCM (hexane) calculations.
Figure 4 | Scientific Reports
Frontier molecular orbitals, HOMO-1 and LUMO, for the BBPC chromophore based on TDDFT/B3LYP/6-31 + G(d)/IEF-PCM (hexane) calculations.
