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科研机构
金属研究所 [10]
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期刊论文 [10]
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Structural and Electronic Properties of (HfH2)(n) (n=5-30) Clusters: Theoretical Investigation
期刊论文
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2021, 卷号: 128, 页码: 9
作者:
Soomro, Irfan Ali
;
Lv, Na
;
Lakhan, Muhammad Nazim
;
Shar, Altaf Hussain
;
Ahmed, Mukhtiar
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2021/10/15
DFT
Structural properties
Electronic properties
Metallic hydrides
HfH2 duster
A Novel Self-Binding Composite Separator Based on Poly(tetrafluoroethylene) Coating for Li-Ion Batteries
期刊论文
POLYMERS, 2018, 卷号: 10, 期号: 12, 页码: 13
作者:
Zhang, Kaiyue
;
Xiao, Wei
;
Liu, Jianguo
;
Yan, Chuanwei
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/02/02
self-binding coating
poly(tetrafluoroethylene)
poly(ethylene) separator
cell performance
Li-ion battery
Syntheses, Spectral Properties of Novel Carbazole Derivatives and Evaluations of Its Ct-DNA Interaction
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2014, 卷号: 34, 期号: 4, 页码: 809-816
作者:
Jian Yong
;
Li Gang
;
Yang Peng
;
Deng Tuo
;
Zhou Xue
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/02/26
PHOTOPHYSICAL PROPERTIES
NUCLEIC-ACIDS
BINDING
DESIGN
DYES
carbazole
C-N cross coupling
solvatochromism
spectral properties
Ct-DNA
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
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  |  
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 AunSc (n=1-8) clusters
期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 17, 页码: 3160-3165
作者:
Die Dong
;
Kuang Xiao-Yu
;
Zhu Bing
;
Guo Jian-Jun
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/02/02
AunSc cluster
Geometrical structure
Electronic and magnetic property
Geometrical, electronic, and magnetic properties of small AunSc (n=1-8) clusters
期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 17, 页码: 3160-3165
作者:
Die Dong
;
Kuang Xiao-Yu
;
Zhu Bing
;
Guo Jian-Jun
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/02/02
AunSc cluster
Geometrical structure
Electronic and magnetic property
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
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  |  
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
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
Ligand-Based Structural Optimization of Grb2-SH2 Inhibitors: High Affinity, Low Charge and Reduced Peptidic Nature
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2011, 卷号: 31, 期号: 12, 页码: 2019-2033
作者:
Peng Dian
;
Zhi Ying
;
Xue Ting
;
Gao Huiyuan
;
Long Yaqiu
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/02/02
STRUCTURE-BASED DESIGN
RING-CLOSING METATHESIS
SH2 DOMAIN
NONPHOSPHORYLATED INHIBITOR
PHOSPHOTYROSYL MIMETICS
ACID-RESIDUES
BINDING
ANTAGONISTS
POSITION
REQUIREMENTS
phosphotyrosine
Grb2-SH2 inhibitor
structure-activity relationship
mitogenic ras pathway
anti-tumor drug
Statistics and Thermodynamics in the Growth of Antigen-Antibody Complexes
期刊论文
Chinese Journal of Physics, 2010, 卷号: 48, 期号: 2, 页码: 277-293
P. Zhang
;
H. J. Wang
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2012/04/13
average molecular-weights
probability-theory
immune-complexes
gelation
aggregation
polymers
affinity
binding
ligands
systems
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