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科研机构
兰州大学 [85]
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期刊论文 [77]
会议论文 [8]
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2016 [13]
2015 [14]
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chemistry [23]
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浏览/检索结果:
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专题:兰州大学
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Evaluation of the electrical properties of dust storms by multi-parameter observations and theoretical calculations
期刊论文
EARTH AND PLANETARY SCIENCE LETTERS, 2017, 卷号: 461, 页码: 141-150
作者:
Zhang, H
;
Bo, TL
;
Zheng, XJ
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/05/09
dust storms
electrical properties
electric field
dust concentration
early warning
Activity and Stability Spontaneously Enhanced Toward Ethylene Polymerization by Employing 2-(1-(2,4-Dibenzhydrylnaphthylimino) Ethyl)-6-(1-(Arylimino) Ethyl) Pyridyliron(II) Dichlorides
期刊论文
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 2017, 卷号: 55, 期号: 1-6, 页码: 988-996
作者:
Zhao, WZ
;
Yue, EL
;
Wang, XX
;
Yang, WH
;
Chen, Y
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/05/08
calculations
ethylene polymerization
linear
polyethylenes (PE)
high molecular weight
iron complexes
Structural, spectral, electrochemical and DFT studies of two mononuclear manganese(II) and zinc(II) complexes
期刊论文
POLYHEDRON, 2017, 卷号: 122, 页码: 228-240
作者:
Chai, LQ
;
Tang, LJ
;
Chen, LC
;
Huang, JJ
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/05/08
Metal complexes
Crystal structures
DFT calculations
Spectral study
Cyclic voltammetry
First-principles study of electronic structure, optical and phonon properties of α-ZrW2O8
期刊论文
SOLID STATE COMMUNICATIONS, 2016, 卷号: 247, 页码: 58-63
作者:
Li, Jinping
;
Meng, Songhe
;
Qin, Liyuan
;
Lu, Hantao
收藏
  |  
浏览/下载:146/0
  |  
提交时间:2017/01/13
Calculations
Ceramic matrix composites
Electronic structure
Phonons
Thermal expansion
Calculation results
First-principles study
Generalized gradient approximations
Isotropic negative thermal expansion
Material designs
Phonon properties
Temperature range
Thermal expansion coefficients
Controllable magnetic and magnetostrictive properties of FeGa films electrodeposited on curvature substrates
期刊论文
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2016, 卷号: 122, 期号: 11
作者:
Cao, Derang
;
Wang, Zhenkun
;
Pan, Lining
;
Feng, Hongmei
;
Cheng, Xiaohong
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/13
Thin films
Anisotropy
Electrodeposition
Electrodes
Magnetic anisotropy
Magnetic properties
Magnetism
Magnetostriction
Magnetostrictive devices
Stresses
Substrates
Approximate calculations
Compressive strain
Concentric circles
Electrodeposition methods
Flexible thin films
Magnetostrictive constant
Magnetostrictive properties
Uniaxial magnetic anisotropy
Determine the Role of Alkyl Chains and Hydrogen Bonds in the Assembling Process of Fused Thiophene Indacene Derivatives by Scanning Tunneling Microscopy and Theoretical Calculation
期刊论文
Journal of Physical Chemistry C, 2016, 卷号: 120, 期号: 38, 页码: 21699-21703
作者:
Liu, Zhi-Fei
;
Xu, Huan
;
Duan, Rui-Hong
;
Yang, Zhi-Yong
;
Zhang, Hao-Li
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2017/01/12
Hydrogen bonds
Complexation
Density functional theory
Lamellar structures
Molecules
Scanning tunneling microscopy
Surface defects
Thiophene
Alkyl chain
Assembling process
Balance point
Essential characteristic
Fused thiophene
Optimized models
Surface pattern
Theoretical calculations
Computational study on the binding and unbinding mechanism of HCV NS5B with the inhibitor GS-461203 and substrate using conventional and steered molecular dynamics simulations
期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2016, 卷号: 156, 页码: 72-80
作者:
Pan, DB
;
Niu, YZ
;
Ning, LL
;
Zhang, Y
;
Liu, HX
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/01/12
Hepatitis C Virus NS5B RNA-dependent RNA polymerase
GS-461203
Molecular dynamics simulation
Binding free energy calculations
Synthesis and optical properties of novel Troger's base derivatives
期刊论文
TETRAHEDRON, 2016, 卷号: 72, 期号: 27-28, 页码: 4081-4084
作者:
Yuan, R
;
Li, MQ
;
Xu, JB
;
Huang, SY
;
Zhou, SL
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/13
Troger's base derivatives
Synthesis
Theoretical calculations
Photoelectric property
Anti-cancer activity
First-principles study of structural, electronic, magnetic and thermodynamic properties of the double perovskite Ba2CeCoO6
期刊论文
SOLID STATE COMMUNICATIONS, 2016, 卷号: 239, 页码: 49-54
作者:
Xie, HH
;
Gao, Q
;
Li, L
;
Lei, G
;
Hu, XR
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/13
Double perovskite
Half-metallic ferromagnetism
Thermodynamic property
First-principles calculations
Computational study on the drug resistance mechanism of hepatitis C virus NS5B RNA-dependent RNA polymerase mutants to BMS-791325 by molecular dynamics simulation and binding free energy calculations
会议论文
15th Conference on Chemometrics in Analytical Chemistry, Changsha, PEOPLES R CHINA, JUN 22-26, 2015
作者:
Pan, DB
;
Niu, YZ
;
Xue, WW
;
Bai, QF
;
Liu, HX
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/20
Drug resistance mechanism
Hepatitis C Virus NS5B RNA-dependent
RNA polymerase
BMS-791325
Molecular dynamics simulation
Binding free energy calculations
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