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科研机构
大连化学物理研究所 [26]
内容类型
期刊论文 [26]
发表日期
2019 [3]
2018 [6]
2017 [10]
2016 [4]
2015 [2]
2012 [1]
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专题:大连化学物理研究所
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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
收藏
  |  
浏览/下载:211/0
  |  
提交时间:2019/12/02
charge transfer
ESIPT
intramolecular hydrogen bond
solvent polarity
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Song, Xiaoyan
;
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Yang, Dapeng
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2019/06/20
charge density difference
charge redistribution
ESIPT
intramolecular hydrogen bond
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4h-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4h-chromen-4-one
期刊论文
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/05/08
Charge density difference
Charge redistribution
Esipt
Intramolecular hydrogen bond
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds
期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:
Wang, Yusheng
;
Yang, Guang
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Yang, Dapeng
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/06/20
Hydrogen bond
Charge density difference
ESIPT
Potential energy curves
Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds
期刊论文
Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:
Wang, Yusheng
;
Yang, Guang
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Yang, Dapeng
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/05/08
Hydrogen bond
Charge density difference
Esipt
Potential energy curves
Theoretical insights into the excited state intramolecular proton transfer mechanism for a novel 4-methoxy-3-hydroxyflavone system
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2018, 卷号: 65, 期号: 11, 页码: 1326-1332
作者:
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Yang, Dapeng
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/06/20
charge redistribution
ESIPT
hydrogen bond
transition state
Theoretical insights into the ESIPT process for pi-conjugated benzimidazole compounds
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 11, 页码: 7
作者:
Wang, Yusheng
;
Yang, Guang
;
Yang, Dapeng
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/06/20
electronic spectra
frontier molecular orbital
potential energy curves
TDDFT
Theoretical insights into the excited state intramolecular proton transfer mechanism for a novel 4-methoxy-3-hydroxyflavone system
期刊论文
Journal of the chinese chemical society, 2018, 卷号: 65, 期号: 11, 页码: 1326-1332
作者:
Wang, Yusheng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Yang, Dapeng
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/05/08
Charge redistribution
Esipt
Hydrogen bond
Transition state
Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline-pyrazole isomer QP-I: A theoretical study
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 1
作者:
Zheng, Rui
;
Wang, Yusheng
;
Song, Nahong
;
Yang, Dapeng
;
Yang, Guang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/06/20
Excited State Proton Transfer
Frontier Molecular Orbitals
Intramolecular Hydrogen Bond
Potential Energy Curves
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:
Yang, Dapeng
;
Yang, Guang
;
Zhao, Jinfeng
;
Zheng, Rui
;
Wang, Yusheng
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2017/12/20
AIM
ESIPT
IR vibrational spectra
MOs
potential energy curves
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