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大连化学物理研究... [163]
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期刊论文 [159]
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2019 [27]
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物理化学 [13]
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专题:大连化学物理研究所
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A TiN Nanorod Array 3D Hierarchical Composite Electrode for Ultrahigh-Power-Density Bromine-Based Flow Batteries
期刊论文
ADVANCED MATERIALS, 2019, 页码: 8
作者:
Wang, Chenhui
;
Lu, Wenjing
;
Lai, Qinzhi
;
Xu, Pengcheng
;
Zhang, Huamin
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浏览/下载:85/0
  |  
提交时间:2019/12/02
3D conductive frameworks
bromine-based flow batteries
energy storage
TiN nanorod arrays
Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents
期刊论文
MOLECULAR PHYSICS, 2019, 页码: 9
作者:
Xu, Lei
;
Zhang, Qiaoli
;
Zhang, Tianjie
;
Yang, Dapeng
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  |  
浏览/下载:81/0
  |  
提交时间:2019/12/02
Intramolecular hydrogen bond
ESIPT
charge density difference
charge redistribution
solvent polarity
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
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  |  
浏览/下载:103/0
  |  
提交时间:2019/12/02
Boosting the rate capability of multichannel porous TiO2 nanofibers with well-dispersed Cu nanodots and Cu2+-doping derived oxygen vacancies for sodium-ion batteries
期刊论文
NANO RESEARCH, 2019, 卷号: 12, 期号: 9, 页码: 2211-2217
作者:
Wu, Ying
;
Wei, Zengxi
;
Xu, Rui
;
Gong, Yue
;
Gu, Lin
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  |  
浏览/下载:77/0
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提交时间:2019/12/02
multichannel porous TiO2 nanofibers
Cu nanodots
Cu2+ doping
sodium ion batteries
density functional theory (DFT) calculations
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
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
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  |  
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
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
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  |  
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
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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 time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Jia, Min
;
Song, Xiaoyan
;
Yang, Xiaohui
;
Yang, Dapeng
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  |  
浏览/下载:56/0
  |  
提交时间:2019/12/02
charge distribution
ESIPT
intramolecular hydrogen bond
potential energy curve
Probing solvation and reactivity in ionized polycyclic aromatic hydrocarbon-water clusters with photoionization mass spectrometry and electronic structure calculations
期刊论文
FARADAY DISCUSSIONS, 2019, 卷号: 217, 页码: 414-433
作者:
Xu, Bo
;
Stein, Tamar
;
Ablikim, Utuq
;
Jiang, Ling
;
Hendrix, Josie
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  |  
浏览/下载:47/0
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提交时间:2019/12/02
Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA center dot M(ii)](2-) complexes (M = Ca, V-Zn): electronic structures and intrinsic redox properties
期刊论文
FARADAY DISCUSSIONS, 2019, 卷号: 217, 页码: 383-395
作者:
Yuan, Qinqin
;
Kong, Xiang-Tao
;
Hou, Gao-Lei
;
Jiang, Ling
;
Wang, Xue-Bin
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  |  
浏览/下载:48/0
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提交时间:2019/12/02
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