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大连理工大学 [13]
厦门大学 [7]
福建物质结构研究所 [2]
北京大学 [1]
兰州理工大学 [1]
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期刊论文 [26]
会议论文 [7]
学位论文 [2]
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2011 [35]
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金属有机 [1]
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Mechanical properties and electronic structure of the incompressible rhenium carbides and nitrides: A first-principles study
期刊论文
http://dx.doi.org/10.1016/j.ssc.2011.08.011, 2011
Miao, Naihua
;
Sa, Baisheng
;
Zhou, Jian
;
Sun, Zhimei
;
Ahuja, Rajeev
;
周健
;
孙志梅
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
BASIS-SET
INITIO
Insight into the Structural Requirements of Benzothiadiazine Scaffold-Based Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics
期刊论文
current medicinal chemistry, 2011, 卷号: 18, 期号: 26, 页码: 4019-4028
作者:
Zhang, H-X.
;
Li, Y.
;
Wang, X.
;
Xiao, Z-T.
;
Wang, Y-H.
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/12
HCV NS5B
benzothiadiazine scaffold-based inhibitors
3D-QSAR
CoMFA
CoMSIA
molecular docking
molecular dynamics
Lanthanide metal organic frameworks based on octahedral secondary building units: Structural, luminescent, and magnetic properties
期刊论文
Inorganic Chemistry Communications, 2011, 卷号: 14, 期号: 7, 页码: 1165-1169
H. B. Zhang
;
Y. Peng
;
X. C. Shan
;
C. B. Tian
;
L. Ping
;
S. W. Du
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2012/06/06
Pcu net topology
1
Lanthanide complexes
10-phenanthroline
Luminescent property
Magnetic
property
earth coordination polymers
crystal-structure
visible luminescence
zeolite topology
net topology
acid
ions
intensities
complexes
Constrained proper sampling of conformations of transition state ensemble of protein folding
期刊论文
http://dx.doi.org/10.1063/1.3519056, 2011
Lin, Ming
;
Zhang, Jian
;
Lu, Hsiao-Mei
;
Chen, Rong
;
Liang, Jie
;
林敏
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2013/12/12
MOLECULAR-DYNAMICS
CONTACT
SIMULATIONS
PATHWAYS
SEQUENCE
BINDING
TOPOLOGY
ENERGY
DOMAIN
RATES
Brain anatomical networks in early human brain development
期刊论文
NEUROIMAGE, 2011, 卷号: 54, 期号: 3, 页码: 1862-1871
作者:
Fan, Yong
;
Shi, Feng
;
Smith, Jeffrey Keith
;
Lin, Weili
;
Gilmore, John H.
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2015/08/12
Structural Determinants of an Insect beta-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2011, 卷号: 286, 期号: 6, 页码: 4049-4058
作者:
Liu, Tian
;
Zhang, Haitao
;
Liu, Fengyi
;
Wu, Qingyue
;
Shen, Xu
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/01/08
Coordination polymers derived from a flexible bis(pyridylurea) ligand:conformational change of the ligand and structural diversity of the complexes
期刊论文
CrystEngComm, 2011, 卷号: 13, 期号: 1, 页码: 215-222
作者:
Yang XJ(杨晓娟)
;
Huang XJ(黄晓卷)
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  |  
浏览/下载:15/0
  |  
提交时间:2012/09/20
Dynamic optimum design and analysis of cam wave generator for harmonic gear drive (EI CONFERENCE)
会议论文
2011 International Conference on Information and Automation, ICIA 2011, June 6, 2011 - June 8, 2011, Shenzhen, China
Xiao Q.
;
Han X.
;
Jia H.
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2013/03/25
Mathematical models of structural optimization were established for the cam wave generator
then a conceptual model
by integrally taking its static and dynamic performance into consideration
which satisfied the model acted by four concentrated forces
while the dynamic optimum design was carried out. The topology optimization of the cam wave generator was performed based on artificial material density method
was obtained. And the size optimization of the cam wave generator was also executed based on the zero-order method in software Ansys after setting up its parameterized model. The optimized results indicate that its final volume declines to 1284.217mm3 from its 1397.830mm3
which reduced by 42.18% than the original volume of cam (2221.224mm3). Simultaneously
the static analysis and modal analysis were implemented
and the results show that the static and dynamic performance complies with the design requirements
proving that the results of dynamic optimum design are reasonable. The optimized results in paper are realizable in engineering. And the study method provides not only a reference to decreasing design mass and lowering inertia of the cam wave generator
but also an important basis of lightweight design of harmonic gear drive. 2011 IEEE.
Synthesis, Structure and Topological Analysis of a New Zinc(II) Complex Zn(2)(bptc)(bpe)(H(2)O) (n)
期刊论文
Chinese Journal of Structural Chemistry, 2011, 卷号: 30, 期号: 7, 页码: 1006-1010
L. Y. Qiao
;
X. Zhang
;
J. X. Yang
;
Z. J. Li
;
Y. G. Yao
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2012/06/06
zinc
coordination polymer
pillar-layered structure
topology
metal-organic frameworks
coordination polymers
ligand
bilayer
helices
Probing the structural and magnetic properties of transition metal-benzene anion complexes
期刊论文
Dalton Transactions, 2011, 卷号: 40, 期号: 17, 页码: 4578-4589
H. F. Li
;
X. Y. Kuang
;
H. Q. Wang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2012/04/13
density-functional theory
decker sandwich clusters
photoelectron-spectroscopy
gas-phase
electronic-structure
ionization
energies
mass-spectrometry
binding-energies
ion-benzene
atoms
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