Bonding Interactions of Metal Clusters [Mn (M= Cu, Ag, Au; n=1-4)] with Ammonia. Are the Metal Clusters Adequate as a Model of Surfaces?
Density Functional (B3LYP/LANL2DZ) calculations for ammonia metal clusters were done inorder to obtain bond lengths, M-N stretching vibrational modes, binding energies, Mulliken atomiccharges and adiabatic ionization potentials. The results indicate that copper atom forms strongerbonds with ammonia...
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| Publicado no: | Journal of the Mexican Chemical Society |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Sociedad Química de México
2005
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| Acesso em linha: | https://www.redalyc.org/articulo.oa?id=47549207 |
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