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Quantum chemical study of the stabilization process of faujasites

✍ Scribed by Beran, S. ;Jíru, P. ;Wichterlová, B.

Book ID
112683985
Publisher
Springer
Year
1982
Tongue
English
Weight
141 KB
Volume
18
Category
Article
ISSN
0133-1736

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Fe ions in the cationic sites and in the
Fe ions in the cationic sites and in the skeleton of faujasites. A quantum chemical study
✍ S. Beran; P. Jírů; B. Wichterlová 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 441 KB

The CNDO/2 method was used for calculation of the physico-chemical characteristics of faujasites with Fe 2+, Fe 3+ and Fe(OH) + ions localized in the SII and S I, cationic positions or with Fe 3+ ions incorporated in the zeolite skeleton, modelled using T606(OH)12 and FeTsO6(OH)12 clusters. It is de