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Electronic and structural properties of reduced-charge montmorillonites

✍ Scribed by W.P Gates; P Komadel; J Madejová; J Bujdák; J.W Stucki; R.J Kirkpatrick

Book ID
117384640
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
155 KB
Volume
16
Category
Article
ISSN
0169-1317

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Electronic and structural properties of
Electronic and structural properties of montmorillonite—a quantum chemical study
✍ A. Chatterjee; T. Iwasaki; H. Hayashi; T. Ebina; K. Torii 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 165 KB

The importance of geometry and its relation with property in montmorillonite have been studied in terms of octahedral Ž . aluminum and tetrahedral silicon present in the framework. Quantum chemical QC calculations were performed using Ž . Ž . MNDO modified neglect of differential overlap and DFT den