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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：89/0  |  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  
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：105/0  |  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  
First-principles calculations for structures and absorption optical spectra of sulfur cluster S(7) 期刊论文
Physica B-Condensed Matter, 2004, 卷号: 351, 期号: 1-2, 页码: 197-203
作者:  X. R. Chen;  Y. Cheng;  X. L. Zhou;  Y. L. Bai;  J. Zhu
收藏  |  浏览/下载：77/0  |  提交时间：2012/04/14
Pseudopotential Density-functional Theory  Langevin Molecular Dynamics  Annealing Technique  Sulfur Clusters  Langevin Molecular-dynamics  Ab-initio  Electronic-structure  Liquid  Sulfur  Ci Method  Silicon  Pseudopotentials  Cycloheptasulfur  Spectroscopy  
Time-dependent local density approximation calculations for absorption spectra of small sulfur clusters 期刊论文
Journal of Physics B-Atomic Molecular and Optical Physics, 2003, 卷号: 36, 期号: 22, 页码: 4511-4517
作者:  Y. L. Bai;  X. R. Chen;  X. D. Yang;  X. L. Zhou
收藏  |  浏览/下载：89/0  |  提交时间：2012/04/14
Difference-pseudopotential Method  Ab-initio  Metal-clusters  Semiconductor Clusters  Lithium Clusters  Silicon Clusters  Ci Method  Spectroscopy  Excitations  Germanium  
Tight-bindihg molecular-dynamics study of melting behaviour of small silicon clusters 期刊论文
Acta Physica Sinica, 2003, 卷号: 52, 期号: 11, 页码: 2854-2858
作者:  J. Wang;  S. Q. Wang
收藏  |  浏览/下载：84/0  |  提交时间：2012/04/14
Tight-binding  Silicon Clusters  Latent Heat Of Fusion  Si Clusters  Nanoparticles  Simulations