## Ahstract-Chemisorption of halogen atoms and halogenide ions on model Cu' clusters has been investigated at the ab initio Hartree-Fock level using an all electron basis set for copper and electron core potentials (ECP) for halogen atoms. Equilibrium distances, binding energies, harmonic vibratio
Quantum chemical study of the bond activation for NO adsorbed on a Cu surface
✍ Scribed by M. Fernández-García; J.C. Conesa; F. Illas
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 296 KB
- Volume
- 63-65
- Category
- Article
- ISSN
- 0167-2738
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