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A systematic search for the structures, stabilities, and electronic properties of bimetallic Ca-2-doped gold clusters: comparison with pure gold clusters 期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 4, 页码: 1333-1343
作者:  Y. R. Zhao;  X. Y. Kuang;  P. Shao;  C. G. Li;  S. J. Wang;  Y. F. Li
收藏  |  浏览/下载:88/0  |  提交时间:2013/02/05
Ca-au Cluster  Geometric Configuration  Density Functional Theory  Density-functional Theory  Transition-metal Atoms  Ab-initio  Silver  Clusters  Silicon Clusters  N=1-4 Clusters  Basis-sets  Polarizability  Ag  Potentials  
Structures and Absorption Optical Spectra of Silicon Cluster Si-9 via First-Principles Calculations 期刊论文
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2011, 卷号: 8, 期号: 12, 页码: 2423-2428
作者:  Li, Zhe;  Chen, Xiang-Rong;  Lan, Jun-Qing;  Bai, Yu-Lin
收藏  |  浏览/下载:99/0  |  提交时间:2021/02/02
Pseudopotential Density-Functional Theory  Langevin Molecular Dynamics Annealing Technique  Time-Dependent Local Density-Functional Formalism  Silicon Cluster  
Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic Ag(2)-doped Si(n) (n=1-11) Clusters: A Density-Functional Investigation 期刊论文
Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences, 2011, 卷号: 66, 期号: 5, 页码: 353-362
作者:  Y. R. Zhao;  X. Y. Kuang;  S. J. Wang;  Y. F. Li;  P. Lu
收藏  |  浏览/下载:100/0  |  提交时间:2012/04/13
Ag-si Cluster  Geometric Configuration  Density Function Method  Laser-absorption Spectroscopy  Flight Mass-spectroscopy  Supersonic  Molecular-beam  Small Silicon Clusters  Gold Silicides  Copper Silicide  States  Silver  Ions