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科研机构
金属研究所 [7]
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期刊论文 [7]
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2012 [1]
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内容类型:期刊论文
专题:金属研究所
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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
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:68/0
  |  
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 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:20/0
  |  
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
Ab initio studies on the stability, magnetic property and electronic structure of the molecule-based magnet: Mn-2(dpp)(2)(H2O)(2)Cl-4 center dot 2H(2)O, dpp=2,3-bis(2-paridyl) pyrazine
期刊论文
Solid State Communications, 2008, 卷号: 145, 期号: 7-8, 页码: 364-367
S. W. Fan
;
K. L. Yao
;
Z. L. Liu
;
Z. W. Wang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2012/04/13
organic magnetic semiconductors
ab initio method
electronic structure
ferromagnetic properties
copper(ii) binuclear compounds
transition-metal-complexes
density-functional theory
iron-sulfur clusters
organic ferromagnets
theoretical-model
systems
First-principles study of the interfacial structures of Au/MgO(001)
期刊论文
Physical Review B, 2007, 卷号: 75, 期号: 12
D. Chen
;
X. L. Ma
;
Y. M. Wang
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  |  
浏览/下载:10/0
  |  
提交时间:2012/04/13
resolution electron-microscopy
transition-metal atoms
molecular-dynamics
ag/mgo(001) interface
mgo(001) surface
magnesium-oxide
vacancy defects
gold particles
mgo
clusters
Electrochemical synthesis of silver nanoparticles under protection of poly(N-vinylpyrrolidone)
期刊论文
Journal of Physical Chemistry B, 2003, 卷号: 107, 期号: 34, 页码: 8898-8904
B. S. Yin
;
H. Y. Ma
;
S. Y. Wang
;
S. H. Chen
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  |  
浏览/下载:9/0
  |  
提交时间:2012/04/14
pulsed sonoelectrochemical synthesis
shape-controlled synthesis
enhanced raman-scattering
gold nanorods
selenide nanoparticles
metal
nanoparticles
optical-properties
clusters
transition
palladium
STRUCTURAL, ELECTRONIC, AND MAGNETIC-PROPERTIES OF SMALL RHODIUM CLUSTERS
期刊论文
Physical Review B, 1994, 卷号: 50, 期号: 11, 页码: 7915-7924
J. L. Yang
;
F. Toigo
;
K. L. Wang
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2012/04/14
transition-metal clusters
cobalt clusters
iron clusters
nickel
clusters
binding-energy
reactivity
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