Structures and energetics of BenCn (n = 1-5) and Be2nCn (n = 1-4) clusters
The structures and energies of BenCn (n = 1-5) and Be2nCn (n = 1-4) clusters have been examined in theoretical electronic structure calculations. Cluster geometries were optimized in B3LYP/6-31G(2df) calculations and energies ordered in QCISD(T) calculations at the optimum geometries. Be and C bond...
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| Autores principales: | Fioressi, S.E., Binning, R.C., Jr., Bacelo, D.E. |
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| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_03010104_v443_n_p76_Fioressi |
| Aporte de: |
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