Table 7. Calculated MAD and RMSD for the Six Adsorption Models.
| Dsdpbep86 | Pbe0dh | M06-2X | M062Xd3 | Pbe0d3 | ωb97Xd | |
|---|---|---|---|---|---|---|
| MAD | 1.0305 | 0.9965 | 1.0860 | 1.1060 | 1.9373 | 1.0373 |
| RMSD | 1.6277 | 1.6101 | 1.7448 | 1.7486 | 2.8571 | 1.6387 |
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