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山东大学 [33]
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Vibrational spectrum of 1-ethyl-3-methylimidazolium tetrafluoroborate on graphene surface
期刊论文
Journal of Molecular Liquids, 2020, 卷号: 311
作者:
Zhang, Jiao
;
Guan, Yongji
;
Wang, Jinyuan
;
Yang, Fulong
;
Jing, Huanwang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/11/14
Density functional theory
Energy harvesting
Hydrogen bonds
Ionic liquids
Ions
Red Shift
Vibrational spectra
1-ethyl-3-methylimidazolium tetrafluoroborate
Dispersion interaction
Interaction energies
Ionic liquid (ils)
Novel solvents
Structural characteristics
Vibrational bands
POSS-tetraaniline modified graphene for active corrosion protection of epoxy-based organic coating
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2020, 卷号: 383
作者:
Ye, Yuwei
;
Yang, Dongping
;
Zhang, Dawei
;
Chen, Hao
;
Zhao, Haichao
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2020/12/16
VIBRATIONAL-SPECTRA
PHYSICAL-PROPERTIES
ANILINE TRIMER
POLYANILINE
ANTICORROSION
ENHANCEMENT
NANOTUBES
SURFACE
OXIDE
PERFORMANCE
Raman Spectroscopic and Theoretical Study of Scandium Fluoride and Oxyfluoride Anions in Molten FLiNaK
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 卷号: 124, 期号: 30, 页码: 6671-6678
作者:
Wang, CY
;
Chen, XT
;
Wei, R
;
Gong, Y
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  |  
浏览/下载:27/0
  |  
提交时间:2021/09/06
DENSITY-FUNCTIONAL THEORY
HIGH-TEMPERATURE NMR
BIS(TRIFLUOROMETHANESULFONYL) IMIDE ANION
IONIC LIQUID
VIBRATIONAL-SPECTRA
RARE-EARTH
MOLECULAR-DYNAMICS
LOCAL-STRUCTURE
BINARY MELTS
BASIS-SET
Vibrational modes in La2Zr2O7 pyrochlore irradiated with disparate electrical energy losses
期刊论文
CHINESE PHYSICS B, 2019, 卷号: 28, 期号: 11, 页码: 5
作者:
Zhang, Sheng-Xia
;
Liu, Jie
;
Xie, Hua
;
Xu, Li-Jun
;
Hu, Pei-Pei
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  |  
浏览/下载:14/0
  |  
提交时间:2022/01/19
pyrochlore
heavy ion irradiation
vibrational spectra
phase transition
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
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
作者:
Song, Xiaoyan
;
Zhang, Tianjie
;
Zhang, Qiaoli
;
Yang, Dapeng
;
Yang, Guang
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/06/20
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation
期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164
作者:
Yang, Dapeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:67/0
  |  
提交时间:2019/05/08
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
Temporal evolution of the relative vibrational population of N2 (C-3 Pi(u)) and optical emission spectra of atmospheric pressure plasma jets in He mixtures
期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2019, 卷号: 52
作者:
Qiao, Jun-Jie
;
Zhang, Li
;
Yang, De-Zheng
;
Jia, Zi-Xian
;
Song, Ying
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/02
atmospheric pressure plasma jets
spatial-temporal optical emission spectra
relative vibrational population
Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 页码: 064317
作者:
Zhang, Bingbing
;
Huang, Qian-Rui
;
Jiang, Shukang
;
Chen, Li-Wei
;
Hsu, Po-Jen
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/12/02
Red Shift
Resonance
Ultraviolet spectroscopy, Anharmonic vibrational calculations
Energy conformers
Experimental spectra
Fundamental modes
Infrared spectrum
Stretching modes
Vacuum ultraviolets
Vibrational couplings, Calculations
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