In the work described in this paper we have studied the adsorption of gaseous molecules inside the zeolite lattice using recently developed different reactivity descriptors. In particular, we have used Fukui functionbased descriptors and local hard-soft acid-base (HSAB) principle for a quantitative and qualitative analysis. This represents the first case in which local HSAB principle has been used for quantitative description of weak adsorption cases.
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