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兰州理工大学 [6]
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大连化学物理研究所 [5]
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期刊论文 [38]
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2018 [42]
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The electronic structures and excitation properties of three mesopentafluorophenyl substituted zinc porphyrin-fullerene dyad
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2018, 卷号: 1173, 页码: 398-405
作者:
Lu, Xiao-Juan
;
Zhang, Cai-Rong
;
Shen, Yu-Lin
;
Wu, You-Zhi
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/11/15
Porphyrin fullerene dyad
Electronic structures
Excited states
Density functional theory
Time dependent density functional theory
The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad
期刊论文
Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405
作者:
Lu, Xiao-Juan
;
Zhang, Cai-Rong
;
Shen, Yu-Lin
;
Wu, You-Zhi
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2020/11/14
Charge transfer
Electronic structure
Excited states
Fullerenes
Geometry
Molecular orbitals
Optoelectronic devices
Porphyrins
Structural properties
Zinc
Highest occupied molecular orbital
Lowest unoccupied molecular orbital
Optoelectronic properties
Partial delocalization
Porphyrin fullerenes
Synergistic enhancement
Time dependent density functional theory
Transient intermediate
Three-dimensional CFD simulations to study the effect of impeller geometry on internal flow field in ADS upward spiral flow target
期刊论文
JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 2018, 卷号: 55, 页码: 1381-1392
作者:
Yang, Wei-Feng
;
Qiang, Chengwen
;
Wang, Fei
;
Li, Long
;
Deng, Weiping
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  |  
浏览/下载:40/0
  |  
提交时间:2019/03/27
ADS
windowless target
upward spiral flow target
CFD
stagnation zone
free surface
Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole
期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773
作者:
Zhang, Qiaoli
;
Zhao, Jinfeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
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  |  
浏览/下载:152/0
  |  
提交时间:2019/06/20
Intramolecular hydrogen bond
Frontier molecular orbital
Charge density difference
Excited state proton transfer
Transition state
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds
期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:
Wang, Yusheng
;
Yang, Guang
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Yang, Dapeng
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/06/20
Hydrogen bond
Charge density difference
ESIPT
Potential energy curves
Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds
期刊论文
Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:
Wang, Yusheng
;
Yang, Guang
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Yang, Dapeng
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  |  
浏览/下载:30/0
  |  
提交时间:2019/05/08
Hydrogen bond
Charge density difference
Esipt
Potential energy curves
Theoretical insights into the excited state intramolecular proton transfer mechanism for a novel 4-methoxy-3-hydroxyflavone system
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2018, 卷号: 65, 期号: 11, 页码: 1326-1332
作者:
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Yang, Dapeng
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/06/20
charge redistribution
ESIPT
hydrogen bond
transition state
Determination of the geometrical REV based on fracture connectivity: a case study of an underground excavation at the Songta dam site, China
期刊论文
BULLETIN OF ENGINEERING GEOLOGY AND THE ENVIRONMENT, 2018, 卷号: 77, 期号: 4, 页码: 1599-1606
作者:
Li, Yanyan
;
Chen, Jianping
;
Shang, Yanjun
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2018/12/11
Rock mass
Representative elementary volume
3D Fracture network
Connectivity
Theoretical insights into the excited state intramolecular proton transfer mechanism for a novel 4-methoxy-3-hydroxyflavone system
期刊论文
Journal of the chinese chemical society, 2018, 卷号: 65, 期号: 11, 页码: 1326-1332
作者:
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Yang, Dapeng
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/05/08
Charge redistribution
Esipt
Hydrogen bond
Transition state
Design and Testing of a LUT Airfoil for Straight-Bladed Vertical Axis Wind Turbines
期刊论文
APPLIED SCIENCES-BASEL, 2018, 卷号: 8, 期号: 11
作者:
Li, Shoutu
;
Li, Ye
;
Yang, Congxin
;
Zhang, Xuyao
;
Wang, Qing
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  |  
浏览/下载:4/0
  |  
提交时间:2019/11/15
airfoil design
aerodynamic
wind tunnel experiment
VAWTs (Vertical axis wind turbines)
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