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Calculations for the study of NO 2 adsorption on a transition-metal-exchanged zeolite (M=Zn, Cu, Ni, Co, Fe) were carried out using an ab initio density functional theory and pseudopotential approaches. A tritetrahedral model (T3) was used to represent the structure of the zeolite. The density functional calculations predict that the bonding energy follows the order Zn>Ni>Cu>Fe>Co...
The shape-selective cyclization of 2-butanone with formaldehyde and ammonia to trimethyl- (collidines) and tetramethyl pyridines was investigated over ZSM-5 catalysts modified by various cations and prepared by conventional impregnation. The shape-selective nature of the catalyst was studied using isobutyl alcohol, 2-butanol, and t-butyl alcohol.
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