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浏览/检索结果: 共10条，第1-10条 帮助 限定条件 专题：金属研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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 Y. R. Zhao; X. Y. Kuang; P. Shao; C. G. Li; S. J. Wang; Y. F. Li 收藏  |  浏览/下载：17/0  |  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   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 D. Die; X. Y. Kuang; B. Zhu; J. J. Guo 收藏  |  浏览/下载：20/0  |  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 P. Lu; X. Y. Kuang; A. J. Mao; Z. H. Wang; Y. R. Zhao 收藏  |  浏览/下载：13/0  |  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   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 S. J. Wang; X. Y. Kuang; C. Lu; Y. F. Li; Y. R. Zhao 收藏  |  浏览/下载：11/0  |  提交时间：2012/04/13 effective core potentials  density-functional theory  ab-initio  molecular calculations  photoelectron-spectroscopy  au  ni  alloys  anions  cu   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 C. Lu; X. Y. Kuang; Z. W. Lu; A. J. Mao; Y. M. Ma 收藏  |  浏览/下载：14/0  |  提交时间：2012/04/13 effective core potentials  ab-initio  molecular calculations  silver  clusters  csau  transition  geometries  hydrogen  auride  au   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 Y. R. Zhao; X. Y. Kuang; B. B. Zheng; Y. F. Li; S. J. Wang 收藏  |  浏览/下载：67/0  |  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   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 D. Die; X. Y. Kuang; J. J. Guo; B. X. Zheng 收藏  |  浏览/下载：10/0  |  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 D. Die; X. Y. Kuang; J. J. Guo; B. X. Zheng 收藏  |  浏览/下载：15/0  |  提交时间：2012/04/13 Au(n)Cr clusters  Geometrical structure  Relative stability  Magnetic  property  effective core potentials  molecular calculations  approximation  gold   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 H. Q. Wang; X. Y. Kuang; H. F. Li 收藏  |  浏览/下载：18/0  |  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   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 H. Q. Wang; X. Y. Kuang; H. F. Li 收藏  |  浏览/下载：13/0  |  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