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Equilibrium geometries, stabilities, and electronic properties of the cationic AunBe+ (n=1-8) clusters: comparison with pure gold clusters 期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 8, 页码: 3553-3562
作者:  P. Shao;  X. Y. Kuang;  Y. R. Zhao;  Y. F. Li;  S. J. Wang
收藏  |  浏览/下载:114/0  |  提交时间:2013/02/05
Aunbe++ Cluster  Density Functional Method  Geometrical Configuration  Ground-state  Beryllium Dimer  Co Oxidation  Transition  Chemistry  Polarizabilities  Au-n(+)  Atoms  Be-2  Cs  
Ab initio calculation of the geometries, stabilities, and electronic properties for the bimetallic Be2Au (n) (n=1-9) clusters: comparison with pure gold clusters 期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 1, 页码: 275-283
作者:  Y. R. Zhao;  X. Y. Kuang;  B. B. Zheng;  S. J. Wang;  Y. F. Li
收藏  |  浏览/下载:107/0  |  提交时间:2013/02/05
Be-au Cluster  Geometric Configuration  Density Functional Method  Photoelectron-spectroscopy  Exchange-energy  Au  Anions  Ag  Cu  Approximation  Potentials  Transition  Molecules