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Density-functional theory study of structures, stabilities, and electronic properties of the Cu-2-doped silicon clusters: Comparison with pure silicon clusters 期刊论文
Physica B-Condensed Matter, 2012, 卷号: 407, 期号: 21, 页码: 4379-4386
作者:  P. Shao;  X. Y. Kuang;  L. P. Ding;  M. M. Zhong;  Z. H. Wang
收藏  |  浏览/下载：114/0  |  提交时间：2013/02/05
Density Functional Theory  Cu-si Cluster  Geometric Configuration  Laser-absorption Spectroscopy  Flight Mass-spectroscopy  Supersonic  Molecular-beam  Doped Germanium Clusters  Si Cage Clusters  Copper  Silicides  Geometries  
Density functional study on size-dependent structures, stabilities, electronic and magnetic properties of AunM (M=Al and Si, n=1-9) clusters: comparison with pure gold clusters 期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 7, 页码: 3061-3072
作者:  Y. F. Li;  A. J. Mao;  Y. Li;  X. Y. Kuang
收藏  |  浏览/下载：113/0  |  提交时间：2013/02/05
Cluster  Density Functional Theory  Electronic Property  Geometric  Configuration  Relative Stability  Nanoclusters  Spectroscopy  Geometries  Oxidation  Energies  Cations  Silver  Co  
A DFT study on equilibrium geometries, stabilities, and electronic properties of small bimetallic Na-doped Au (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: 329-338
作者:  Y. F. Li;  X. Y. Kuang;  A. J. Mao;  Y. Li;  Y. R. Zhao
收藏  |  浏览/下载：116/0  |  提交时间：2013/02/05
Au-na Cluster  Density Functional Theory  Geometric Configuration  Ionization Potentials  Ionization-potentials  Co Oxidation  Sodium Clusters  Silver  Photoionization  Molecules  Chemistry  Elements  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：106/0  |  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  
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:  Zhao, Ya-Ru;  Kuang, Xiao-Yu;  Wang, Su-Juan;  Li, Yan-Fang;  Lu, Peng
收藏  |  浏览/下载：143/0  |  提交时间：2021/02/02
Ag-Si Cluster  Geometric Configuration  Density Function Method  
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