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Structure and magnetic properties of icosahedral Pd(x)Ag(13−x) (x = 0–13) clusters
In this article, we present a modified Velocity-Verlet algorithm that makes cluster system converge rapidly and accurately. By combining it with molecular dynamics simulations, we develop an effective global sampling method for extracting isomers of bimetallic clusters. Using this method, we obtain...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5572054/ https://www.ncbi.nlm.nih.gov/pubmed/28842663 http://dx.doi.org/10.1038/s41598-017-10184-6 |