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Electronic charge distribution and Lewis acidity of surface aluminium atoms in γ-Al2O3: a quantum-chemical model

✍ Scribed by Fleisher, M. B.; Golender, L. O.; Shimanskaya, M. V.

Book ID
115314285
Publisher
Royal Society of Chemistry
Year
1991
Tongue
English
Weight
448 KB
Volume
87
Category
Article
ISSN
0956-5000

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The electronic states and Lewis acidity
The electronic states and Lewis acidity of surface aluminum atoms in γ-Al2O3 model cluster: An ab initio MO study
✍ Hiroto Tachikawa; Takeshi Tsuchida 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 457 KB

The electronic states of the surface and bulk aluminum ions in y-Al,O, have been determined by using ab initio molecular orbital (MO) method. As bulk and surface models of y-AlzOs, [Al(OH),J3-" and [Al(OH),\_,]4-" (n=4, 6) clusters for one-unit model and [A120(OH>,,J4-" and [A120(OH),\_2]6-m (m=6, 1