The distribution analysis on the proton siting and the acid strength of the zeolite ferrierite: A computational study

Zeolites are large-scale molecular structures in three-dimensional networks of pores and cages. What about the tradeoff between the efficiency and the precision when some approximations are employed? It is challenge to finger out which the preferential T atom is and where the proton siting is because of the relative narrow RSE or RPDE range, the uneven T sites, and the ubiquitous computational error. A statistical analysis was put forward in this study.135