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| Molecules | FMOs | Acceptor (%) | Donor (%) |
|---|---|---|---|
| IDR | HOMO | 34.8 | 65.2 |
| LUMO | 53.9 | 46.1 | |
| ID1 | HOMO | 37.0 | 63.0 |
| LUMO | 66.9 | 33.1 | |
| ID2 | HOMO | 35.7 | 64.3 |
| LUMO | 63.9 | 36.1 | |
| ID3 | HOMO | 36.4 | 63.6 |
| LUMO | 64.4 | 35.6 | |
| ID4 | HOMO | 36.4 | 63.6 |
| LUMO | 64.4 | 35.6 | |
| ID5 | HOMO | 26.6 | 73.4 |
| LUMO | 52.8 | 47.2 | |
| ID6 | HOMO | 34.9 | 65.1 |
| LUMO | 64.8 | 35.2 | |
| ID7 | HOMO | 36.0 | 64.0 |
| LUMO | 53.5 | 46.5 |
