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3, 4-seco-Isopimarane and 3, 4-seco-pimarane diterpenoids from Callicarpa nudiflora
期刊论文
CHINESE JOURNAL OF NATURAL MEDICINES, 2021, 卷号: 19, 期号: 8, 页码: 632-640
作者:
Huang, Hang
;
Tang, Chun-Ping
;
Ke, Chang-Qiang
;
Shu, Ren-Geng
;
Ye, Yang
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2021/11/04
TDDFT-ECD
DFT calculation
Callicarpa nudiflora
3
4-seco-Isopimarane
3
4-seco-Pimarane
Topological properties after light ion irradiation on Weyl semimetal niobium phosphide from first principles
期刊论文
MATERIALS TODAY COMMUNICATIONS, 2020, 卷号: 24
作者:
Fu, Yan-Long
;
Sang, Hai-Bo
;
Cheng, Wei
;
Zhang, Feng-Shou
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  |  
浏览/下载:6/0
  |  
提交时间:2020/12/16
Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9
作者:
Gao, Haiyan
;
Yang, Xiaohui
;
Zhang, Tianjie
;
Yang, Dapeng
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  |  
浏览/下载:79/0
  |  
提交时间:2019/12/02
charge density differences
charge redistribution
ESIPT
frontier molecular orbital
intramolecular hydrogen bond
A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
作者:
Wang, Yusheng
;
Zhang, Qiaoli
;
Xu, Kai
;
Jiang, Weifen
;
Yang, Dapeng
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  |  
浏览/下载:211/0
  |  
提交时间:2019/12/02
charge transfer
ESIPT
intramolecular hydrogen bond
solvent polarity
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
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  |  
浏览/下载:58/0
  |  
提交时间:2019/12/02
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
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  |  
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
A theoretical study on a series of polycyclic conjugated hydrocarbons-dinaphthobenzo[1,2:4,5]dicyclobutadienes with tunable charge transport properties by controlling [N]phenylenes and (anti)aromaticity
期刊论文
JOURNAL OF MATERIALS CHEMISTRY C, 2019, 卷号: 7, 期号: 22, 页码: 6721-6727
作者:
Yin, Hang
;
Zheng, Daoyuan
;
Qiao, Yan
;
Chen, Xiaofang
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  |  
浏览/下载:40/0
  |  
提交时间:2019/07/26
The investigation of proton transfer and fluorescence-sensing mechanisms of [2-(2-hydroxy-phenyl)-1H-benzoimidazol-5-yl]-phenyl-methanone
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 6, 页码: 583-588
作者:
Yang, Dapeng
;
Zhao, Zhongjian
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
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  |  
浏览/下载:181/0
  |  
提交时间:2019/12/02
deprotonation
fluoride-triggered fluorescence response
intra and interhydrogen bonds
potential energy curves
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
New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 213, 页码: 309-317
作者:
Liu, Runze
;
Ma, Yinhua
;
Liu, Jianyong
;
Yang, Yanqiang
;
Chu, Tianshu
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  |  
浏览/下载:154/0
  |  
提交时间:2019/12/02
Fluorescence emission
Fluorescence quenching
Dynamical sensing mechanism
pi-pi stacking interaction
Hydrogen-bonding interaction
Photo-induced electron transfer
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