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...
Sparad:
| I publikationen: | Journal of the Mexican Chemical Society |
|---|---|
| Huvudupphov: | |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Utgiven: |
Sociedad Química de México
2005
|
| Ämnen: | |
| Länkar: | https://www.redalyc.org/articulo.oa?id=47549207 |
| Taggar: |
Inga taggar, Lägg till första taggen!
|