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科研机构
山东大学 [27]
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期刊论文 [27]
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2019 [12]
2018 [2]
2017 [3]
2016 [2]
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2011 [2]
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专题:山东大学
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The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 11, 页码: 1807-1815
作者:
Li, Changming
;
Guo, Wei
;
Zhou, Panwang
;
Tang, Zhe
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
A theoretical investigation on the excited state intramolecular single or double proton transfer mechanism of a salicyladazine system
期刊论文
Journal of the Chinese Chemical Society, 2019
作者:
Zhang Q.
;
Zhao Z.
;
Cheng S.
;
Yang G.
;
Zhang T.
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/11
charge redistribution
double hydrogen bonds
ESIPT
IR vibrational spectra
MOs
Theoretical investigation about the excited-state proton transfer mechanism for a novel dihydorgen bond system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 7
作者:
Wang, Lifei
;
Wang, Yan
;
Zhao, Juan
;
Zhao, Jinfeng
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/12/11
charge redistribution
ESIPT
MOs
potential energy surface
A simple turn-on ESIPT and PET-based fluorescent probe for detection of Al3+ in real-water sample
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 219, 页码: 202-205
作者:
Zhu, Yilin
;
Gong, Xiangshuo
;
Li, Zhipeng
;
Zhao, Xun
;
Liu, Zhiqiang
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/11
Turn-on fluorescent sensor
Excited state intramolecular proton
transfer
Photoelectron transfer
Aluminum ion
Determinant of ESIPT Mechanism by the Structure Designed for Symmetrical and Unsymmetrical Molecules
期刊论文
ACS Applied Bio Materials, 2019, 页码: 3622-3629
作者:
Dong, Hao
;
Zhao, Jinfeng
;
Yang, Huan
;
Zheng, Yujun
收藏
  |  
浏览/下载:97/0
  |  
提交时间:2019/12/11
charge transfer
excited state proton transfer
modified structure
molecular electrostatic potential
potential energy surface
Modulating NeH-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2 '-aminophenyl) benzothiazole compounds
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 724, 页码: 57-66
作者:
Yang, Dapeng
;
Zhang, Tianjie
;
Jia, Min
;
Cheng, Shibo
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/11
N-H-based excited-state intramolecular proton transfer
Electron-donating/withdrawing substituents
Potential energy curves
TDDFT method
Modulating mechanism of N-H-based excited-state intramolecular proton transfer by electron-withdrawing substituent at aromatic para-position
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 730, 页码: 76-83
作者:
Yang, Da-Peng
;
Zhang, Qiao-Li
;
Song, Xiao-Yan
;
Cheng, Shi-Bo
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
N-H-based excited-state intramolecular proton transfer
Electron-withdrawing/donating substituents
Energy barrier
Substituent
at aromatic para-position
Calculation of Free-Energy Barriers with TD-DFT: A Case Study on Excited-State Proton Transfer in Indigo
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 40, 页码: 8485-8495
作者:
Fang, Changfeng
;
Durbeej, Bo
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/11
Insights into the excited state intramolecular proton transfer process and mechanism of the novel 3-hydroxythioflavone system: A theoretical study
期刊论文
Journal of the Chinese Chemical Society, 2019
作者:
Wang L.
;
Wang Y.
;
Zhao J.
;
Zhao J.
收藏
  |  
浏览/下载:101/0
  |  
提交时间:2019/12/11
charge transfer
ESIPT
hydrogen bond
IR spectra
IRC
Modulating N–H-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2″-aminophenyl)benzothiazole compounds
期刊论文
Chemical Physics Letters, 2019, 页码: 57-66
作者:
Yang, Dapeng
;
Zhang, Tianjie
;
Jia, Min
;
Cheng, Shibo
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
Electron-donating/withdrawing substituents
N–H-based excited-state intramolecular proton transfer
Potential energy curves
TDDFT method
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