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Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M(2)-doped Au(n) (M = Ag, Cu; n=1-10) Clusters: Comparison with Pure Gold Clusters 期刊论文
Journal of Physical Chemistry A, 2011, 卷号: 115, 期号: 5, 页码: 569-576
作者:  Y. R. Zhao;  X. Y. Kuang;  B. B. Zheng;  Y. F. Li;  S. J. Wang
Adobe PDF(3902Kb)  |  收藏  |  浏览/下载：141/0  |  提交时间：2012/04/13
Effective Core Potentials  Transition-metal Atoms  Density-functional  Theory  Photoelectron-spectroscopy  Molecular Calculations  Silver  Clusters  Fluorescence Spectroscopy  Polarizability  Anions  Adsorption  
Determination of Structures, Stabilities, and Electronic Properties for Bimetallic Cesium-Doped Gold Clusters: A Density Functional Theory Study 期刊论文
Journal of Physical Chemistry A, 2011, 卷号: 115, 期号: 33, 页码: 9273-9281
作者:  C. Lu;  X. Y. Kuang;  Z. W. Lu;  A. J. Mao;  Y. M. Ma
Adobe PDF(977Kb)  |  收藏  |  浏览/下载：101/0  |  提交时间：2012/04/13
Effective Core Potentials  Ab-initio  Molecular Calculations  Silver  Clusters  Csau  Transition  Geometries  Hydrogen  Auride  Au  
Geometries, stabilities, and electronic properties of Pt-group-doped gold clusters, their relationship to cluster size, and comparison with pure gold clusters 期刊论文
Physical Chemistry Chemical Physics, 2011, 卷号: 13, 期号: 21, 页码: 10119-10130
作者:  S. J. Wang;  X. Y. Kuang;  C. Lu;  Y. F. Li;  Y. R. Zhao
Adobe PDF(3412Kb)  |  收藏  |  浏览/下载：164/0  |  提交时间：2012/04/13
Effective Core Potentials  Density-functional Theory  Ab-initio  Molecular Calculations  Photoelectron-spectroscopy  Au  Ni  Alloys  Anions  Cu  
Geometrical, electronic, and magnetic properties of small Au(n)Sc (n=1-8) clusters 期刊论文
Physica B-Condensed Matter, 2011, 卷号: 406, 期号: 17, 页码: 3160-3165
作者:  D. Die;  X. Y. Kuang;  B. Zhu;  J. J. Guo
Adobe PDF(910Kb)  |  收藏  |  浏览/下载：74/0  |  提交时间：2012/04/13
Au(n)Sc Cluster  Geometrical Structure  Electronic And Magnetic Property  Effective Core Potentials  Molecular Calculations  Gold Clusters  Oxidation  Catalysts  
Structural and electronic properties of silver-doped gold clusters Au(n)Ag(v) (2 <= n <= 10; v=0,+/- 1): comparison with pure gold clusters 期刊论文
Molecular Physics, 2011, 卷号: 109, 期号: 16, 页码: 2057-2068
作者:  P. Lu;  X. Y. Kuang;  A. J. Mao;  Z. H. Wang;  Y. R. Zhao
Adobe PDF(1604Kb)  |  收藏  |  浏览/下载：145/0  |  提交时间：2012/04/13
Silver-doped Gold Cluster  Geometric Structure  Electronic Property  Density Functional Theory  Relative Stability  Density-functional Calculations  Ion Mobility Measurements  Effective  Core Potentials  Molecular Calculations  Photoelectron-spectroscopy  Nanostructures  Transition  Oxidation  Anions  Shape  
Density functional study of structural and electronic properties of bimetallic copper-gold clusters: comparison with pure and doped gold clusters 期刊论文
Physical Chemistry Chemical Physics, 2010, 卷号: 12, 期号: 19, 页码: 5156-5165
作者:  H. Q. Wang;  X. Y. Kuang;  H. F. Li
Adobe PDF(1650Kb)  |  收藏  |  浏览/下载：81/0  |  提交时间：2012/04/13
Effective Core Potentials  Ion Mobility Measurements  Coinage  Metal-clusters  Molecular Calculations  Photoelectron-spectroscopy  Ionization-potentials  Nanostructures  Transition  Anions  Nanoparticles  
Density functional theory study of Au(n)Mn(n=1-8) clusters 期刊论文
Journal of Physics and Chemistry of Solids, 2010, 卷号: 71, 期号: 5, 页码: 770-775
作者:  D. Die;  X. Y. Kuang;  J. J. Guo;  B. X. Zheng
Adobe PDF(780Kb)  |  收藏  |  浏览/下载：93/0  |  提交时间：2012/04/13
Nanostructures  Ab Initio Calculations  Magnetic Properties  Effective Core Potentials  Molecular Calculations  Gold Clusters  Approximation  
Geometries, stabilities, and magnetic properties of Cr@Au(n) (n = 1-8) clusters: Density functional theory study 期刊论文
Physica a-Statistical Mechanics and Its Applications, 2010, 卷号: 389, 期号: 22, 页码: 5216-5222
作者:  D. Die;  X. Y. Kuang;  J. J. Guo;  B. X. Zheng
Adobe PDF(648Kb)  |  收藏  |  浏览/下载：104/0  |  提交时间：2012/04/13
Au(n)Cr Clusters  Geometrical Structure  Relative Stability  Magnetic  Property  Effective Core Potentials  Molecular Calculations  Approximation  Gold  
Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: Au(n)Zn(-) (2 <= n <= 10) 期刊论文
Journal of Physical Chemistry A, 2009, 卷号: 113, 期号: 51, 页码: 14022-14028
作者:  H. Q. Wang;  X. Y. Kuang;  H. F. Li
Adobe PDF(1753Kb)  |  收藏  |  浏览/下载：137/0  |  提交时间：2012/04/13
Effective Core Potentials  Density-functional Calculations  Ion Mobility  Measurements  Molecular Calculations  Photoelectron-spectroscopy  Nanostructures  Transition  Oxidation  Cations  Shape