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Mulliken and ESP charge populations of triarylborylcarbazole monomer
| functional | changes of Mulliken charges on backbone(ground → first excited) |
changes of ESP charges on backbone(ground → first excited) |
|---|---|---|
| B3LYP | 0.81 (−0.28 → 0.53) | 0.85 (−0.18 → 0.67) |
| CAM-B3LYP | 0.27 (−0.28 → −0.01) | 0.27 (−0.19 → 0.08) |
| ωB97X | 0.13 (-0.28 → −0.15) | 0.12 (−0.19 → −0.07) |
