The addition of oxygen to a Pt3Re cluster complex: a model for dissociative chemisorption of oxygen
β Scribed by Xiao, Jianliang; Vittal, Jagadese J.; Puddephatt, Richard J.; Manojlovic-Muir, Ljubica; Muir, Kenneth W.
- Book ID
- 126254115
- Publisher
- American Chemical Society
- Year
- 1993
- Tongue
- English
- Weight
- 242 KB
- Volume
- 115
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
Molecular oxygen chemisorption on copper clusters has been studied using a jellium description of the clusters. Calculations were performed in the framework of the local spin density approximation and the density was expanded according to the MO-LCAO method. To evaluate the applicability of this app
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