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
The role of atoms which terminate clusters: Quantum chemical study
โ Scribed by M. Witko; R. Tokarz; J. Haber
- Publisher
- Elsevier Science
- Year
- 1991
- Weight
- 591 KB
- Volume
- 66
- Category
- Article
- ISSN
- 0304-5102
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