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科研机构
大连化学物理研究所 [10]
上海应用物理研究所 [3]
重庆绿色智能技术研究... [2]
上海硅酸盐研究所 [2]
宁波材料技术与工程研... [1]
内容类型
期刊论文 [18]
发表日期
2018 [18]
学科主题
Metallurgy... [2]
Chemistry [1]
Materials ... [1]
Materials ... [1]
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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
Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269
作者:
Wang, Yi
;
Tang, Zhe
;
Lu, Meiheng
;
Liu, Kangjing
;
Zhao, Yanliang
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  |  
浏览/下载:65/0
  |  
提交时间:2019/06/20
ESIPT
Molecular electrostatic potential surface
Frontier molecular orbitals
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:30/0
  |  
提交时间:2019/05/08
Hydrogen bond
Charge density difference
Esipt
Potential energy curves
Solvation effect on the esipt mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1h-imidazo- [4,5-c]pyridine
期刊论文
Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 261-269
作者:
Tang, Zhe
;
Lu, Meiheng
;
Liu, Kangjing
;
Zhao, Yanliang
;
Qi, Yutai
收藏
  |  
浏览/下载:79/0
  |  
提交时间:2019/05/08
Esipt
Molecular electrostatic potential surface
Frontier molecular orbitals
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 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
A detailed DFT/TDDFT study on excited-state intramolecular hydrogen bonding dynamics and proton-transfer mechanism of 2-phenanthro[9,10-d]oxazol-2-yl-phenol
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 10, 页码: 8
作者:
Song, Xiaoyan
;
Yang, Dapeng
;
Zhang, Tianjie
;
Yang, Guang
;
Jia, Min
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  |  
浏览/下载:16/0
  |  
提交时间:2019/06/20
ESIPT
frontier molecular orbitals
infrared spectra
intramolecular hydrogen bond
Electromagnetic Field Redistribution in Metal Nanoparticle on Graphene
期刊论文
Nanoscale Research Letters, 2018, 卷号: 13, 期号: 1
作者:
Li,Keke
;
Liu,Anping
;
Wei,Dapeng
;
Yu,Keke
;
Sun,Xiaonan
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  |  
浏览/下载:23/0
  |  
提交时间:2018/05/02
EM redistribution
Graphene plasmons
Nanoparticle/graphene hybrid system
SERS
Elaborating the excited state behavior of 2-(4-N,N-dimethylaminophenyl)-imidazo[4,5-c]pyridine coupling with methanol solvent
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 3
作者:
Yang, Dapeng
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/06/20
Electronic Spectra
Hydrogen Bond
Ir Spectra
Potential Energy Curves
Theoretical investigation of twisted charge-transfer-promoted intramolecular proton transfer in the excited state of 4 '-dimethylaminoflavonol in a highly polar solvent
期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 194, 页码: 785-790
作者:
Wang, Yi
;
Fei, Xu
;
Tang, Zhe
;
Yang, Yunfan
;
Yang, Yi
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/06/20
Excited-state Intramolecular Proton Transfer
Hydrogen Bond
Twisted Intramolecular Charge Transfer
Reduced Density Gradient
Potential-energy Curve
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