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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
大连化学物理研究所 [55]
采集方式
OAI收割 [52]
iSwitch采集 [3]
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期刊论文 [54]
会议论文 [1]
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2019 [9]
2018 [7]
2017 [19]
2016 [6]
2015 [4]
2014 [1]
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学科主题
物理化学 [3]
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专题:大连化学物理研究所
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Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems
期刊论文
OAI收割
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
  |  
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
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
OAI收割
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:52/0
  |  
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
OAI收割
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:54/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
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
OAI收割
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:45/0
  |  
提交时间:2019/07/26
Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor
期刊论文
OAI收割
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
The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double?
期刊论文
OAI收割
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Hao, Jiaojiao
;
Yang, Yang
  |  
收藏
  |  
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
iSwitch采集
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Hao, Jiaojiao
;
Yang, Yang
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2019/05/08
Double
Esipt mechanism
Intramolecular hydrogen bond
Single
Tddft
A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor
期刊论文
OAI收割
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 theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor
期刊论文
iSwitch采集
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:82/0
  |  
提交时间:2019/05/08
Charge transfer
Esipt
Intramolecular hydrogen bond
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
OAI收割
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