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大连化学物理研究所 [23]
山东大学 [4]
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华中师范大学 [1]
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期刊论文 [33]
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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:53/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
TDDFT study on aluminum and fluoride dual-sensing mechanism of a Schiff-Base sensor
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 44-51
作者:
Li, Guang-Yue
;
Liu, Dong
;
Wang, Jie-Ping
;
Zhou, Can-Hua
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2019/06/20
Sensor
Fluorescence
Excited state
TICT
ESPT
Tddft study on aluminum and fluoride dual-sensing mechanism of a schiff-base sensor
期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 211, 页码: 44-51
作者:
Liu, Dong
;
Wang, Jie-Ping
;
Li, Guang-Yue
;
Zhou, Can-Hua
收藏
  |  
浏览/下载:112/0
  |  
提交时间:2019/05/08
Sensor
Fluorescence
Excited state
Tict
Espt
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
作者:
Song, Xiaoyan
;
Zhang, Tianjie
;
Zhang, Qiaoli
;
Yang, Dapeng
;
Yang, Guang
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/06/20
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation
期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164
作者:
Yang, Dapeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:67/0
  |  
提交时间:2019/05/08
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
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:22/0
  |  
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
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/05/08
Charge redistribution
Intramolecular hydrogen bond
Potential energy curves
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
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