The chemisorption of atomic hydrogen and oxygen on a cobalt surface has been studied on a five-atom cluster model using one-electron effective core potential ( l e -E c p ) and all-electron calculations at the ab initio SCF and MCPF levels. Also, density functional calculations have been carried out
Oxygen chemisorption on the PbS(001) surface: Quantum-chemical modeling
β Scribed by A. S. Zyubin; T. S. Zyubina; L. V. Yashina; V. I. Shtanov
- Book ID
- 110182269
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2009
- Tongue
- English
- Weight
- 501 KB
- Volume
- 54
- Category
- Article
- ISSN
- 0036-0236
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