Quantum chemical studies of the chemisorption of atomic hydrogen on copper and silver clusters
โ Scribed by J. Flad; G. Igel-Mann; M. Dolg; H. Preuss; H. Stoll
- Book ID
- 118986698
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 774 KB
- Volume
- 163
- Category
- Article
- ISSN
- 0039-6028
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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
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