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Adsorption energies for quantum dot surface and isoniazid drug.
| Interacting surface | Eads(this work) |
|---|---|
| QD-NBC (B3LYP) | -24.29 |
| QD-NBS (B3LYP) | -33.71 |
| QD-NBC (PBE0) | -24.26 |
| QD-NBS (PBE0) | -33.71 |
| QD-NBC(CM-B3LYP) | -23.88 |
| QD-NBS (CM-B3LYP) | -33.73 |
| QD-NBC (WB97XD) | -24.28 |
| QD-NBS (WB97XD) | -33.73 |
| QD-NBC (GD3BJ) | -24.30 |
| QD-NBS (GD3BJ) | -33.75 |
