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中国科学院大连化学物理研究所机构知识库
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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
Authors:
Gao, Haiyan
;
Yang, Xiaohui
;
Zhang, Tianjie
;
Yang, Dapeng
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Submit date: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
Authors:
Xu, Lei
;
Zhang, Qiaoli
;
Zhang, Tianjie
;
Yang, Dapeng
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Submit date:2019/12/02
Intramolecular hydrogen bond
ESIPT
charge density difference
charge redistribution
solvent polarity
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
Authors:
Wang, Yusheng
;
Zhang, Qiaoli
;
Xu, Kai
;
Jiang, Weifen
;
Yang, Dapeng
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Submit date:2019/12/02
charge transfer
ESIPT
intramolecular hydrogen bond
solvent polarity
Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 32, 页码: 17711-17719
Authors:
Chen, Yunpeng
;
Yang, Yunfan
;
Zhao, Yu
;
Liu, Shixing
;
Li, Yongqing
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Submit date:2019/12/02
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
Authors:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
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Submit date: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
Authors:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
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Submit date:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
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
Authors:
Jia, Min
;
Song, Xiaoyan
;
Yang, Xiaohui
;
Yang, Dapeng
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Submit date:2019/12/02
charge distribution
ESIPT
intramolecular hydrogen bond
potential energy curve
Characterization of tunnel oxide passivated contact with n-type poly-Si on p-type c-Si wafer substrate
期刊论文
CURRENT APPLIED PHYSICS, 2019, 卷号: 19, 期号: 7, 页码: 811-816
Authors:
Guo, Xueqi
;
Zeng, Yuheng
;
Zhang, Zhi
;
Huang, Yuqing
;
Liao, Mingdun
;
Yang, Qing
;
Wang, Zhixue
;
Du, Minyong
;
Guan, Denggao
;
Yan, Baojie
;
Ye, Jichun
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Submit date:2019/06/25
Solar cell
C-V measurement
Built-in potential
poly-Si
TOPCon
p-n junction
The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 11, 页码: 1807-1815
Authors:
Li, Changming
;
Guo, Wei
;
Zhou, Panwang
;
Tang, Zhe
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Submit date:2019/07/26
The investigation of proton transfer and fluorescence-sensing mechanisms of [2-(2-hydroxy-phenyl)-1H-benzoimidazol-5-yl]-phenyl-methanone
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 6, 页码: 583-588
Authors:
Yang, Dapeng
;
Zhao, Zhongjian
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
;
Zhang, Tianjie
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Submit date:2019/12/02
deprotonation
fluoride-triggered fluorescence response
intra and interhydrogen bonds
potential energy curves