DFT Study on the Structures and Stability of BenSnn (n=1 – 5) and Be2nSnn (n=1 – 4) Clusters.
The equilibrium geometries and stabilities of bimetallic BenSnn (n=1 – 5) and Be2nSnn (n=1 – 4) clusters were investigated through DFT calculations. Cluster geometries were optimized using DFT Monte Carlo simulated annealing and the energies ordered via single-point Quadratic Configuration Interacti...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
Wiley-Blackwell
2018
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
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