The acidity of the Brønsted sites of MCM-22 zeolite is calculated by atomistic simulation techniques and the effects of long- and short-range contributions in acidity are analysed; the two IR bands detected experimentally are reproduced in the calculations.
G. Sastre, V. Fornes and A. Corma, Chem. Commun., 1999, 2163 DOI: 10.1039/A906053G
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