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长春应用化学研究所 [17]
北京大学 [16]
大连化学物理研究所 [12]
山东大学 [10]
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清华大学 [3]
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期刊论文 [73]
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A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 49-55
作者:
Song, Xiaoyan
;
Zhang, Qiaoli
;
Lv, Jian
;
Yang, Guang
;
Jia, Min
收藏
  |  
浏览/下载:88/0
  |  
提交时间:2019/06/20
charge transfer
ESIPT
intramolecular hydrogen bond
potential energy curves
A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61
作者:
Yang, Dapeng
;
Gao, Haiyan
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2019/06/20
frontier molecular orbital
infrared spectra
intramolecular hydrogen bond
potential energy curves
proton transfer
Phonon-mediated excitation energy transfer in a detuned multi-sites system
期刊论文
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2019, 卷号: 52
作者:
Chen, Hao
;
Wang, Xin
;
Han, Cui-Ming
;
Li, Hong-Rong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/11/19
quantum interference
excitation energy transfer
high-energy intramolecular vibrational motion
A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor
期刊论文
Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 49-55
作者:
Lv, Jian
;
Yang, Guang
;
Jia, Min
;
Zhao, Jinfeng
;
Song, Xiaoyan
收藏
  |  
浏览/下载:83/0
  |  
提交时间:2019/05/08
Charge transfer
Esipt
Intramolecular hydrogen bond
Potential energy curves
A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore
期刊论文
Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 56-61
作者:
Gao, Haiyan
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2019/05/08
Frontier molecular orbital
Infrared spectra
Intramolecular hydrogen bond
Potential energy curves
Proton transfer
Modulating NeH-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2 '-aminophenyl) benzothiazole compounds
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 724, 页码: 57-66
作者:
Yang, Dapeng
;
Zhang, Tianjie
;
Jia, Min
;
Cheng, Shibo
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/11
N-H-based excited-state intramolecular proton transfer
Electron-donating/withdrawing substituents
Potential energy curves
TDDFT method
Modulating mechanism of N-H-based excited-state intramolecular proton transfer by electron-withdrawing substituent at aromatic para-position
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 730, 页码: 76-83
作者:
Yang, Da-Peng
;
Zhang, Qiao-Li
;
Song, Xiao-Yan
;
Cheng, Shi-Bo
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
N-H-based excited-state intramolecular proton transfer
Electron-withdrawing/donating substituents
Energy barrier
Substituent
at aromatic para-position
Modulating N–H-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2″-aminophenyl)benzothiazole compounds
期刊论文
Chemical Physics Letters, 2019, 页码: 57-66
作者:
Yang, Dapeng
;
Zhang, Tianjie
;
Jia, Min
;
Cheng, Shibo
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
Electron-donating/withdrawing substituents
N–H-based excited-state intramolecular proton transfer
Potential energy curves
TDDFT method
Modulating mechanism of N[sbnd]H-based excited-state intramolecular proton transfer by electron-withdrawing substituent at aromatic para-position
期刊论文
Chemical Physics Letters, 2019, 卷号: 730, 页码: 76-83
作者:
Yang, Da-Peng
;
Zhang, Qiao-Li
;
Song, Xiao-Yan
;
Cheng, Shi-Bo
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/11
Electron-withdrawing/donating substituents
Energy barrier
N[sbnd]H-based excited-state intramolecular proton transfer
Substituent at aromatic para-position
Photoinduced excited state dynamical behavior and ESIPT mechanism for 2-(2-hydroxy-3,5-dimethyl-phenyl)-benzooxazole-5-carboxylicacid molecule
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 730, 页码: 485-490
作者:
Zhang, Qiaoli
;
Yang, Xiaohui
;
Yang, Dapeng
;
Cheng, Shibo
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
Intramolecular hydrogen bond
ESIPT
Charge transfer
Frontier molecular
orbital
Potential energy barrier
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