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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [14]
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OAI收割 [14]
内容类型
期刊论文 [14]
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2012 [1]
2011 [3]
2010 [1]
2009 [5]
2002 [1]
2001 [1]
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专题:金属研究所
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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:13/0
  |  
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
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:1/0
  |  
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:11/0
  |  
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
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
OAI收割
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
Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study
期刊论文
OAI收割
Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 43, 页码: 11691-11698
Y. F. Li
;
X. Y. Kuang
;
S. J. Wang
;
Y. R. Zhao
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2012/04/13
photoelectron-spectroscopy
bimetallic clusters
optical-properties
binary clusters
silver clusters
molecules
metal
chemistry
aumg
predictions
Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: AunZn- (2 <= n <= 10)
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 卷号: 113, 期号: 51, 页码: 14022-14028
作者:
Wang, Huai-Qian
;
Kuang, Xiao-Yu
;
Li, Hui-Fang
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/02/02
First-principle study of AunFe (n=1-7) clusters
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 卷号: 902, 期号: 1-3, 页码: 54-58
作者:
Die Dong
;
Kuang Xiao-Yu
;
Guo Jian-Jun
;
Zheng Ben-Xia
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/02/02
AunFe clusters
Geometrical structure
Relative stability
Magnetic moment
Density functional method
First-principle study of AunFe (n=1-7) clusters
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 卷号: 902, 期号: 1-3, 页码: 54-58
作者:
Die Dong
;
Kuang Xiao-Yu
;
Guo Jian-Jun
;
Zheng Ben-Xia
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/02/02
AunFe clusters
Geometrical structure
Relative stability
Magnetic moment
Density functional method
Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: Au(n)Zn(-) (2 <= n <= 10)
期刊论文
OAI收割
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
First-principle study of Au(n)Fe (n=1-7) clusters
期刊论文
OAI收割
Journal of Molecular Structure-Theochem, 2009, 卷号: 902, 期号: 1-3, 页码: 54-58
D. Die
;
X. Y. Kuang
;
J. J. Guo
;
B. X. Zheng
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2012/04/13
Au(n)Fe clusters
Geometrical structure
Relative stability
Magnetic
moment
Density functional method
density