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科研机构
大连化学物理研究所 [68]
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期刊论文 [66]
会议论文 [2]
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2019 [9]
2018 [3]
2017 [8]
2016 [5]
2015 [6]
2014 [2]
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物理化学 [8]
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A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
作者:
Qi, Yutai
;
Lu, Meiheng
;
Wang, Yi
;
Tang, Zhe
;
Gao, Ziqing
收藏
  |  
浏览/下载:103/0
  |  
提交时间:2019/12/02
Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 32, 页码: 17711-17719
作者:
Chen, Yunpeng
;
Yang, Yunfan
;
Zhao, Yu
;
Liu, Shixing
;
Li, Yongqing
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2019/12/02
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
Thiol-ene polymerization for hierarchically porous hybrid materials by adding degradable polycaprolactone for adsorption of bisphenol A
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2019, 卷号: 367, 页码: 465-472
作者:
Zhang, Haiyang
;
Ma, Shujuan
;
Li, Ya
;
Ou, Junjie
;
Wei, Yinmao
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2019/06/20
Hierarchically porous hybrid materials
Polyhedral oligomeric silsesquioxanes
Degradable polymer
Bisphenol A
A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:
Xu, Zhen-Zhen
;
Fan, Hong-Jun
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2019/06/20
binding enthalpy
conformational search
hydrogen bond
proton transfer
ternary cluster
A theoretical investigation on the structures of (nh3)center dot(h2so4)center dot(h2o)(0-14) clusters
期刊论文
International journal of quantum chemistry, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:
Xu, Zhen-Zhen
;
Fan, Hong-Jun
收藏
  |  
浏览/下载:72/0
  |  
提交时间:2019/05/08
Binding enthalpy
Conformational search
Hydrogen bond
Proton transfer
Ternary cluster
Thiol-ene polymerization for hierarchically porous hybrid materials by adding degradable polycaprolactone for adsorption of bisphenol a
期刊论文
Journal of hazardous materials, 2019, 卷号: 367, 页码: 465-472
作者:
Zhang, Haiyang
;
Ma, Shujuan
;
Li, Ya
;
Ou, Junjie
;
Wei, Yinmao
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2019/05/08
Hierarchically porous hybrid materials
Polyhedral oligomeric silsesquioxanes
Degradable polymer
Bisphenol a
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:46/0
  |  
提交时间:2019/06/20
frontier molecular orbital
infrared spectra
intramolecular hydrogen bond
potential energy curves
proton transfer
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
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:151/0
  |  
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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