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. 2017 Oct 24;121(45):25309–25322. doi: 10.1021/acs.jpcc.7b08971

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%