中国科学院机构知识库网格系统: 检索

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	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 OAI收割 Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 1, 页码: 329-338 Y. F. Li; X. Y. Kuang; A. J. Mao; Y. Li; Y. R. Zhao 收藏 \| 浏览/下载：17/0 \| 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
	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 OAI收割 Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 7, 页码: 3061-3072 Y. F. Li; A. J. Mao; Y. Li; X. Y. Kuang 收藏 \| 浏览/下载：23/0 \| 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 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 OAI收割 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：28/0 \| 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
	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 OAI收割 Physica B-Condensed Matter, 2012, 卷号: 407, 期号: 21, 页码: 4379-4386 P. Shao; X. Y. Kuang; L. P. Ding; M. M. Zhong; Z. H. Wang 收藏 \| 浏览/下载：20/0 \| 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
	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 OAI收割 Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 1, 页码: 275-283 Y. R. Zhao; X. Y. Kuang; B. B. Zheng; S. J. Wang; Y. F. Li 收藏 \| 浏览/下载：19/0 \| 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
	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 OAI收割 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：5/0 \| 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 OAI收割 Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences, 2011, 卷号: 66, 期号: 5, 页码: 353-362 Y. R. Zhao; X. Y. Kuang; S. J. Wang; Y. F. Li; P. Lu 收藏 \| 浏览/下载：24/0 \| 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
	Solving spatial basic geometric constraint configurations with locus intersection 期刊论文 OAI收割 COMPUTER-AIDED DESIGN, 2004, 卷号: 36, 期号: 2, 页码: 111-122 作者: Gao, XS; Hoffmann, CM; Yang, WQ \| 收藏 \| 浏览/下载：14/0 \| 提交时间：2018/07/30 geometric constraint solving parametric CAD spatial basic configuration locus intersection