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Brønsted Acidity of Isomorphously Substituted ZSM-5 by B, Al, Ga, and Fe. Density Functional Investigations

✍ Scribed by Yuan, S. P.; Wang, J. G.; Li, Y. W.; Jiao, Haijun

Book ID
121384829
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
110 KB
Volume
106
Category
Article
ISSN
1089-5639

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Acidic properties of [Al], [Ga] and [Fe]
Acidic properties of [Al], [Ga] and [Fe] isomorphously substituted zeolites. Density functional model cluster study of the complexes with a probe CO molecule
✍ Paul Strodel; Konstantin M. Neyman; Helmut Knözinger; Notker Rösch 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 577 KB

The Brensted acid strength and related characteristics of bridging hydroxyl groups in [Al]-, [Gal-and [Fe]-frameworksubstituted zeolites have been studied using a model cluster density functional approach based on a gradient-corrected exchange-correlation energy functional. The acidity is found to d