Acidic properties of [Al], [Ga] and [Fe]
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Paul Strodel; Konstantin M. Neyman; Helmut Knözinger; Notker Rösch
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Article
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1995
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Elsevier Science
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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