Chemistry Letters, Vol.36, No.8, 1034-1035, 2007
Quantitative measurements of bronsted acidity of zeolites by ammonia IRMS-TPD method and density functional calculation
Adsorption energy of ammonia (E-ads) on the Bronsted acid center of several zeolites was calculated by an embedded 8T cluster calculation based on the density functional theory. The E-ads'S were in good agreement with the Delta U obtained by an ammonia IRMS-TPD method.