Structures and energetics of BenGen (n = 1–5) and Be2 nGen (n = 1–4) clusters
Cluster geometries and energies of BenGen (n = 1–5) and Be2 nGen (n = 1–4) have been examined in theoretical electronic structure calculations. Structure optimisations were carried out using DFT B3LYP/6-31G(2df) and the energies of the optimum geometries were ordered in QCISD(T) calculations. Be and...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
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Taylor and Francis Ltd.
2017
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
| Aporte de: | Registro referencial: Solicitar el recurso aquí |