Table 2. Volume Fraction of Adsorption Sites More Stable than Eads = −8 kJ mol–1 in UiO-66.
| force field | volume fraction |
|---|---|
| Dreiding-UFF/TraPPE | 10.9% |
| UFF/TraPPE | 11.8% |
| MM3-MBIS | 11.5% |
| SAPTFF | 14.3% |
| MEDFF | 12.9% |
| force field | volume fraction |
|---|---|
| Dreiding-UFF/TraPPE | 10.9% |
| UFF/TraPPE | 11.8% |
| MM3-MBIS | 11.5% |
| SAPTFF | 14.3% |
| MEDFF | 12.9% |