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科研机构
大连化学物理研究所 [33]
内容类型
期刊论文 [33]
发表日期
2019 [9]
2018 [5]
2017 [5]
2016 [2]
2015 [3]
2013 [2]
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物理化学 [2]
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专题:大连化学物理研究所
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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
收藏
  |  
浏览/下载:85/0
  |  
提交时间:2019/12/02
Intramolecular hydrogen bond
ESIPT
charge density difference
charge redistribution
solvent polarity
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
Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 725, 页码: 45-51
作者:
Lu, Meiheng
;
Zhang, Xuexiang
;
Zhou, Panwang
;
Tang, Zhe
;
Qiao, Yan
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  |  
浏览/下载:106/0
  |  
提交时间:2019/06/20
Sensing mechanism
Fluorescent sensor
PET
DFT
Nitroaromatics
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
收藏
  |  
浏览/下载:67/0
  |  
提交时间:2019/06/20
charge redistribution
ESIPT
intramolecular hydrogen bond
potential energy curves
New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 213, 页码: 309-317
作者:
Liu, Runze
;
Ma, Yinhua
;
Liu, Jianyong
;
Yang, Yanqiang
;
Chu, Tianshu
收藏
  |  
浏览/下载:154/0
  |  
提交时间:2019/12/02
Fluorescence emission
Fluorescence quenching
Dynamical sensing mechanism
pi-pi stacking interaction
Hydrogen-bonding interaction
Photo-induced electron transfer
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:27/0
  |  
提交时间:2019/05/08
Charge redistribution
Intramolecular hydrogen bond
Potential energy curves
Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole
期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773
作者:
Zhang, Qiaoli
;
Zhao, Jinfeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
收藏
  |  
浏览/下载:152/0
  |  
提交时间:2019/06/20
Intramolecular hydrogen bond
Frontier molecular orbital
Charge density difference
Excited state proton transfer
Transition state
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