Lowest-energy structures of (MgO)n (n=2–7) clusters from a topological method and first-principles calculations
作者： Liang Hong , Haoliang Wang , Jingxin Cheng , Lingli Tang , Jijun Zhao
DOI: 10.1016/J.COMPTC.2011.11.015
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摘要: … such as nanorods and nanotubes have been successfully … , regular hexagon, regular octagon and cube were predicted … using all-electron density functional theory (DFT) method as …
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