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科研机构
金属研究所 [6]
内容类型
期刊论文 [6]
发表日期
2012 [1]
2011 [4]
2010 [1]
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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
Y. R. Zhao
;
X. Y. Kuang
;
B. B. Zheng
;
S. J. Wang
;
Y. F. Li
收藏
  |  
浏览/下载:13/0
  |  
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
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:12/0
  |  
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
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:13/0
  |  
提交时间:2012/04/13
effective core potentials
ab-initio
molecular calculations
silver
clusters
csau
transition
geometries
hydrogen
auride
au
Structural and electronic properties of silver-doped gold clusters AunAgv (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:
Lu, Peng
;
Kuang, Xiao-Yu
;
Mao, Ai-Jie
;
Wang, Zhen-Hua
;
Zhao, Ya-Ru
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  |  
浏览/下载:6/0
  |  
提交时间:2021/02/02
silver-doped gold cluster
geometric structure
electronic property
density functional theory
relative stability
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
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  |  
浏览/下载:16/0
  |  
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
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