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| Sl.No | Compound | HOMO (eV) | LUMO (eV) | HLG (eV)* |
|---|---|---|---|---|
| 1. | DB07107 | −0.29572 | −0.14704 | 0.14868 |
| 2. | DB06977 | −0.28270 | −0.18359 | 0.09911 |
| 3. | ST013616 | −0.18235 | −0.06262 | 0.11973 |
| 4. | DB04200 | −0.19362 | −0.00920 | 0.18442 |
| 5. | ST007180 | −0.18628 | −0.03046 | 0.15582 |
| 6. | ST019342 | −0.23036 | −0.07439 | 0.15597 |
| 7. | DB01172 | −0.57549 | −0.40945 | 0.16604 |
