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大连化学物理研究所 [14]
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上海应用物理研究所 [7]
武汉物理与数学研究所 [6]
合肥物质科学研究院 [6]
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期刊论文 [79]
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2018 [80]
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Kinetics of reaction RH + O-2 = R + HO2 (RH = normal C1-C14 alkanes): A DFT investigation
期刊论文
FUEL, 2018, 卷号: 234, 页码: 1165-1172
作者:
Fan, Hongjun
;
Xu, Wei
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/06/20
Fuel combustion
Long alkane
Kinetics
First-principle
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289
作者:
Yang, Yanqiang
;
Ma, Yinhua
;
Zhao, Jinfeng
;
Liu, Jianyong
;
Chu, Tianshu
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  |  
浏览/下载:120/0
  |  
提交时间:2019/06/20
Binding model
Time-dependent density functional theory
Weak interactions
TNP sensing
Photoinduced electron transfer
Binding energy
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:151/0
  |  
提交时间:2019/06/20
Intramolecular hydrogen bond
Frontier molecular orbital
Charge density difference
Excited state proton transfer
Transition state
Saikosaponin D from Radix Bupleuri suppresses triple-negative breast cancer cell growth by targeting beta-catenin signaling
期刊论文
BIOMEDICINE & PHARMACOTHERAPY, 2018, 卷号: 108, 页码: 724-733
作者:
Wang, Jixia
;
Qi, Huan
;
Zhang, Xiuli
;
Si, Wei
;
Xu, Fangfang
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  |  
浏览/下载:41/0
  |  
提交时间:2019/06/20
Triple-negative breast cancer
Saikosaponin D
Radix Bupleuri
Wnt/beta-catenin
Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269
作者:
Wang, Yi
;
Tang, Zhe
;
Lu, Meiheng
;
Liu, Kangjing
;
Zhao, Yanliang
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  |  
浏览/下载:65/0
  |  
提交时间:2019/06/20
ESIPT
Molecular electrostatic potential surface
Frontier molecular orbitals
Potential-energy curves
Saikosaponin d from radix bupleuri suppresses triple-negative breast cancer cell growth by targeting beta-catenin signaling
期刊论文
Biomedicine & pharmacotherapy, 2018, 卷号: 108, 页码: 724-733
作者:
Wang, Jixia
;
Qi, Huan
;
Zhang, Xiuli
;
Si, Wei
;
Xu, Fangfang
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2019/05/08
Triple-negative breast cancer
Saikosaponin d
Radix bupleuri
Wnt/beta-catenin
Solvation effect on the esipt mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1h-imidazo- [4,5-c]pyridine
期刊论文
Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 261-269
作者:
Tang, Zhe
;
Lu, Meiheng
;
Liu, Kangjing
;
Zhao, Yanliang
;
Qi, Yutai
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  |  
浏览/下载:79/0
  |  
提交时间:2019/05/08
Esipt
Molecular electrostatic potential surface
Frontier molecular orbitals
Potential-energy curves
A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
期刊论文
Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 282-289
作者:
Ma, Yinhua
;
Zhao, Jinfeng
;
Liu, Jianyong
;
Yang, Yanqiang
;
Chu, Tianshu
收藏
  |  
浏览/下载:139/0
  |  
提交时间:2019/05/08
Binding model
Time-dependent density functional theory
Weak interactions
Tnp sensing
Photoinduced electron transfer
Binding energy
Viscosity calculation of 1-ethyl-3-methyl-imidazolium chloride ionic liquids based on three-body potential hydrogen bond model
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 271, 页码: 550-556
作者:
Jiang, Kun
;
Liu, Xiaomin
;
Huo, Feng
;
Dong, Kun
;
Zhang, Xiaochun
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  |  
浏览/下载:44/0
  |  
提交时间:2019/04/03
Ionic Liquid
Viscosity
Hydrogen Bond
Molecule Dynamics Simulation
Self-assembly of supramolecular nanotubes/microtubes from 3,5-dimethyl-4-iodopyrazole for plasmonic nanoparticle organization
期刊论文
NANOSCALE, 2018, 卷号: 10, 期号: 44, 页码: 20804-20812
作者:
Liu, Rui
;
Bekana, Deribachew
;
Lai, Yujian
;
Liu, Jingfu
;
Li, Shasha
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  |  
浏览/下载:32/0
  |  
提交时间:2019/06/20
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