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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...

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Detalles Bibliográficos
Autores principales:	Fan, Bai, Ge, Gui-Xian, Jiang, Cheng-Huan, Wang, Guang-Hou, Wan, Jian-guo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2017
Materias:	Article
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

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