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CO/Rh(111): Vibrational frequency shifts and lateral interactions in adsorbate layers

โœ Scribed by Linke, R.; Curulla, D.; Hopstaken, M. J. P.; Niemantsverdriet, J. W.


Book ID
120319073
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
550 KB
Volume
115
Category
Article
ISSN
0021-9606

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Vibrational frequency shifts of diatomic
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Ab initio calculations on H2 and N2 and on the same molecules in the presence of a Na+ cation are presented. The equilibrium configuration and the vibrational frequency shift due to the interaction are calculated. The potential energy surfaces are obtained by local osculatory interpolations and extr