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Quantum-chemical modelling of CO physisorbed and chemisorbed on a beryllium metal surface

✍ Scribed by C. Amovilli; M. Blazej; N.H. March

Book ID
113258856
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
501 KB
Volume
342
Category
Article
ISSN
0166-1280

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## 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