A quantum-chemical study based on a supermolecularapproach and using a modified MIND0/3 method was applied to study the interactions of methane (a) with a ZnO surface containing structural defects i.e., low-coordinated ZnG and 0:; ions and (b) with dioxygen preadsorbed on various oxygen vacancies of
โฆ LIBER โฆ
Quantum-chemical study of the chemisorption of alcohols on aluminum oxide by using the model of an uncharged cluster
โ Scribed by A. O. Litlnskii; P. Ya. Gokhberg; A. P. Khardin
- Book ID
- 112360378
- Publisher
- Springer
- Year
- 1980
- Tongue
- English
- Weight
- 464 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0040-5760
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