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科研机构
大连化学物理研究所 [13]
大连理工大学 [1]
山东大学 [1]
内容类型
期刊论文 [15]
发表日期
2019 [5]
2018 [3]
2017 [5]
2015 [2]
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Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
Dynamic Excited-State Intramolecular Proton Transfer Mechanisms of Two Novel 3-Hydroxyflavone-Based Chromophores in Two Different Surroundings
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3937-3948
作者:
Hao, Jiaojiao
;
Yang, Yang
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  |  
浏览/下载:37/0
  |  
提交时间:2019/06/25
The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double?
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Hao, Jiaojiao
;
Yang, Yang
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  |  
浏览/下载:36/0
  |  
提交时间:2019/06/20
double
ESIPT mechanism
intramolecular hydrogen bond
single
TDDFT
The theoretical study about the esipt mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: single or double?
期刊论文
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Hao, Jiaojiao
;
Yang, Yang
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  |  
浏览/下载:42/0
  |  
提交时间:2019/05/08
Double
Esipt mechanism
Intramolecular hydrogen bond
Single
Tddft
Molecular Design for Electron-Driven Double-Proton Transfer: A New Scenario for Excited-State Proton-Coupled Electron Transfer
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 47, 页码: 9191-9198
作者:
Meng, Qingchi
;
Ren, Guanghua
;
Zhao, Jinfeng
;
Chu, Tianshu
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/06/20
Molecular design for electron-driven double-proton transfer: a new scenario for excited-state proton-coupled electron transfer
期刊论文
Journal of physical chemistry a, 2018, 卷号: 122, 期号: 47, 页码: 9191-9198
作者:
Ren, Guanghua
;
Meng, Qingchi
;
Zhao, Jinfeng
;
Chu, Tianshu
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  |  
浏览/下载:20/0
  |  
提交时间:2019/05/08
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 an Excited-State Intramolecular Proton-Transfer Mechanism for an Asymmetric Structure of 3,7-Dihydroxy-4-oxo-2-phenyl-4H-chromene-8-carbaldehyde: Single or Double?
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8807-8814
作者:
Yang, Yi
;
Dong, Liang
;
Tang, Zhe
;
Wang, Yi
;
Bao, Dongshuai
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/06/20
A TDDFT study on the excited-state double proton transfer reaction of 8-hydroxyquinoline along a hydrogen-bonded bridge
期刊论文
NEW JOURNAL OF CHEMISTRY, 2017, 卷号: 41, 期号: 16, 页码: 8437-8442
作者:
Liu, Yu-Hui
;
Wang, Shi-Ming
;
Zhu, Chaoyuan
;
Lin, Sheng Hsien
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2017/12/19
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