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Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters

We performed an unbiased structure search for low-lying energetic minima of neutral and charged palladium Pd(n)(Q) (n = 2–20, Q = 0, + 1 and –1) clusters using CALYPSO method in combination with density functional theory (DFT) calculations. The main candidates for the lowest energy neutral, cationic...

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Detalles Bibliográficos
Autores principales:	Xing, Xiaodong, Hermann, Andreas, Kuang, Xiaoyu, Ju, Meng, Lu, Cheng, Jin, Yuanyuan, Xia, Xinxin, Maroulis, George
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4726383/ https://www.ncbi.nlm.nih.gov/pubmed/26794267 http://dx.doi.org/10.1038/srep19656

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