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科研机构
大连化学物理研究所 [12]
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期刊论文 [12]
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2019 [4]
2018 [3]
2017 [1]
2015 [2]
1999 [1]
1993 [1]
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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:53/0
  |  
提交时间:2019/06/20
frontier molecular orbital
infrared spectra
intramolecular hydrogen bond
potential energy curves
proton transfer
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:84/0
  |  
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
Insight into the new excited-state intramolecular proton transfer (ESIPT) mechanism of N,N '-bis(salicylidene)-p-phenylenediamine (p-BSP)
期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 501, 页码: 53-59
作者:
Hao, Jiaojiao
;
Yang, Yang
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/06/20
Esipt
Tddft
Intramolecular Hydrogen Bond
Potential Energy Surfaces
Proton Transfer Mechanism
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:16/0
  |  
提交时间:2019/06/20
Excited-state Intramolecular Proton Transfer
Hydrogen Bond
Twisted Intramolecular Charge Transfer
Reduced Density Gradient
Potential-energy Curve
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:23/0
  |  
提交时间:2019/06/20
Excited State Proton Transfer
Frontier Molecular Orbitals
Intramolecular Hydrogen Bond
Potential Energy Curves
A DFT/TDDFT Investigation of Excited State Dynamical Mechanism of (E)-1-((2,2-Diphenylhydrazono)methyl)naphthalen-2-ol
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2017, 卷号: 64, 期号: 12, 页码: 1385-1391
作者:
Yang, Dapeng
;
Wu, Jingyuan
;
Jia, Min
;
Song, Xiaoyan
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/06/20
Electronic Spectra
Frontier Molecular Orbitals
Excited-state Intramolecular Proton Transfer
Potential Energy Surface
Excited-State Intramolecular Proton Transfer Reaction of 3-Hydroxyflavone
期刊论文
journal of cluster science, 2015, 卷号: 26, 期号: 6, 页码: 1983-1992
作者:
Jiang, Yanxue
;
Peng, Yajing
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/11/17
TD-DFT
Infrared spectra
Frontier molecular orbitals
Excited-state intramolecular proton transfer
Potential energy curves
Theoretical study on the excited-state intramolecular proton-transfer reaction of 10-hydroxybenzo[h]quinoline in methanol and cyclohexane
期刊论文
journal of luminescence, 2015, 卷号: 161, 页码: 1-6
作者:
Zhou, Meng
;
Zhao, Jinfeng
;
Cui, Yanling
;
Wang, Qianyu
;
Dai, Yumei
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/17
Excited-state intramolecular proton-transfer
Hydrogen bond
Electronic spectra
Frontier molecular orbitals
Potential energy curves
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