The reliability of the predictions also depends on the nature of the adsorption effects. In particular, the nitrogen rejection effects observed in this study for small-pore MOFs will strongly depend on the parameters of the employed force field and may not manifest themselves in the actual experimental tests. the study also emphasized the importance of the dynamics of the structure in the adsorption processes, something that has not been explored here. Therefore, the current pool of materials represents a possibility of the behavior similar to that of CALF-20 and further investigation in the structural dynamics of these materials is required.