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大连化学物理研究... [260]
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期刊论文 [253]
会议论文 [7]
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专题:大连化学物理研究所
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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
收藏
  |  
浏览/下载:79/0
  |  
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:80/0
  |  
提交时间:2019/12/02
Intramolecular hydrogen bond
ESIPT
charge density difference
charge redistribution
solvent polarity
A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
作者:
Qi, Yutai
;
Lu, Meiheng
;
Wang, Yi
;
Tang, Zhe
;
Gao, Ziqing
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  |  
浏览/下载:103/0
  |  
提交时间:2019/12/02
A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
作者:
Wang, Yusheng
;
Zhang, Qiaoli
;
Xu, Kai
;
Jiang, Weifen
;
Yang, Dapeng
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  |  
浏览/下载:211/0
  |  
提交时间:2019/12/02
charge transfer
ESIPT
intramolecular hydrogen bond
solvent polarity
Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems
期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
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  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
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
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
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浏览/下载:55/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
A time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Jia, Min
;
Song, Xiaoyan
;
Yang, Xiaohui
;
Yang, Dapeng
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  |  
浏览/下载:56/0
  |  
提交时间:2019/12/02
charge distribution
ESIPT
intramolecular hydrogen bond
potential energy curve
Origin of enhanced stability in thiocyanate substituted -FAPbI(3) analogues
期刊论文
SCIENCE CHINA-CHEMISTRY, 2019, 卷号: 62, 期号: 7, 页码: 866-874
作者:
Xu, Zhuo
;
Chen, Ming
;
Liu, Shengzhong (Frank)
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浏览/下载:54/0
  |  
提交时间:2019/12/02
thiocyanate
stability
formamidinium perovskites
density-functional theory
Molecular Containers Derived from [60]Fullerene through Peroxide Chemistry
期刊论文
ACCOUNTS OF CHEMICAL RESEARCH, 2019, 卷号: 52, 期号: 7, 页码: 1793-1801
作者:
Gan, Liangbing
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浏览/下载:45/0
  |  
提交时间:2019/12/02
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