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大连化学物理研究所 [10]
清华大学 [3]
北京大学 [2]
高能物理研究所 [2]
山东大学 [2]
上海大学 [2]
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期刊论文 [25]
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Coupling effect and charge redistribution of cyclo[18]carbons and cyclocarbon oxides on NaCl surface
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2020, 卷号: 34, 期号: 13
作者:
Liang, Zefen
;
He, Tianxiang
;
An, Junpeng
;
Xue, Hongtao
;
Tang, Fuling
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浏览/下载:16/0
  |  
提交时间:2022/03/01
Cyclo[18]carbons
cyclocarbon oxides
couple effects
charge redistribution
Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9
作者:
Gao, Haiyan
;
Yang, Xiaohui
;
Zhang, Tianjie
;
Yang, Dapeng
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  |  
浏览/下载:85/0
  |  
提交时间:2019/12/02
charge density differences
charge redistribution
ESIPT
frontier molecular orbital
intramolecular hydrogen bond
Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents
期刊论文
MOLECULAR PHYSICS, 2019, 页码: 9
作者:
Xu, Lei
;
Zhang, Qiaoli
;
Zhang, Tianjie
;
Yang, Dapeng
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  |  
浏览/下载:89/0
  |  
提交时间:2019/12/02
Intramolecular hydrogen bond
ESIPT
charge density difference
charge redistribution
solvent polarity
Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
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  |  
浏览/下载:60/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7
作者:
Zhang, Tianjie
;
Zhang, Qiaoli
;
Lu, Xuemei
;
Jia, Min
;
Song, Xiaoyan
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  |  
浏览/下载:70/0
  |  
提交时间:2019/06/20
charge redistribution
ESIPT
intramolecular hydrogen bond
potential energy curves
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Song, Xiaoyan
;
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Yang, Dapeng
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2019/06/20
charge density difference
charge redistribution
ESIPT
intramolecular hydrogen bond
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4h-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4h-chromen-4-one
期刊论文
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
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  |  
浏览/下载:57/0
  |  
提交时间:2019/05/08
Charge density difference
Charge redistribution
Esipt
Intramolecular hydrogen bond
The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 2, 页码: 8
作者:
Zhang, Qiaoli
;
Yang, Dapeng
;
Jia, Min
;
Yang, Guang
;
Song, Xiaoyan
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/06/20
charge redistribution
intramolecular hydrogen bond
potential energy curves
The excited state hydrogen bond and proton transfer mechanism of a novel dye cs-azine
期刊论文
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 2, 页码: 8
作者:
Jia, Min
;
Yang, Guang
;
Song, Xiaoyan
;
Zhang, Qiaoli
;
Yang, Dapeng
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  |  
浏览/下载:29/0
  |  
提交时间:2019/05/08
Charge redistribution
Intramolecular hydrogen bond
Potential energy curves
Charge-redistribution-induced new active sites on (0?0?1) facets of ?-Mn2O3 for significantly enhanced selective catalytic reduction of NOx by NH3
期刊论文
Journal of Catalysis, 2019, 卷号: 370, 页码: 30-37
作者:
Fan, Zhaoyang
;
Wang, Zhenyu
;
Shi, Jian-Wen
;
Gao, Chen
;
Gao, Ge
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  |  
浏览/下载:62/0
  |  
提交时间:2019/11/19
Adsorption and reactions
Adsorption site
Catalytic performance
Charge redistribution
Crystal facets
De-NOx
Selective catalytic reduction of NOx
Solvent-thermal
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