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科研机构
山东大学 [38]
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期刊论文 [38]
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2018 [2]
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专题:山东大学
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Synergistic effect of Ni and Fe in Fe-doped NiS2 counter electrode for dye-sensitized solar cells: Experimental and DFT studies
期刊论文
ELECTROCHIMICA ACTA, 2018, 卷号: 284, 页码: 24-29
作者:
Zheng, Jinlong
;
Guo, Zhonglu
;
Zhou, Wei
;
Zhang, Rongzun
;
Wang, Junxiang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Metal sulfide
Dye-sensitized solar cell
Counter electrode
Density
functional theory
Synergistic effect of Ni and Fe in Fe-doped NiS2 counter electrode for dye-sensitized solar cells: Experimental and DFT studies
期刊论文
Electrochimica Acta, 2018, 卷号: 284, 页码: 24-29
作者:
Zheng, Jinlong
;
Guo, Zhonglu
;
Zhou, Wei
;
Zhang, Rongzun
;
Wang, Junxiang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
OH-initiated transformation and hydrolysis of aspirin in AOPs system: DFT and experimental studies
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2017, 卷号: 592, 页码: 33-40
作者:
He, Lin
;
Sun, Xiaomin
;
Zhu, Fanping
;
Ren, Shaojie
;
Wang, Shuguang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/12
Aspirin
Advanced oxidation processes
Transformation mechanism
Hydrolysis
DFT
Experimental and DFT studies on aggregation behavior of dodecylsulfonate-based surface active ionic liquids in water and ethylammonium nitrate
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 218, 页码: 457-464
作者:
Tian, Tongtong
;
Qin, Jieqiong
;
Gao, Yan'an
;
Yu, Li
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/16
Surface active ionic liquid
Lyotropic liquid crystals
Lamellar gels
Experimental and DFT Studies on the Aggregation Behavior of lmidazolium-Based Surface-Active Ionic Liquids with Aromatic Counterions in Aqueous Solution
期刊论文
Langmuir: The ACS Journal of Surfaces and Colloids, 2015, 卷号: 31, 期号: 4, 页码: 1272-1282
作者:
Xu, Wenwen
;
Wang, Tao
;
Cheng, Ni
;
Hu, Qiongzheng
;
Bi, Yanhui
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/17
Theoretical studies on the common catalytic mechanism of transketolase by using simplified models
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 39, 页码: 23-28
作者:
Sheng, Xiang
;
Liu, Yongjun
;
Liu, Chengbu
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  |  
浏览/下载:1/0
  |  
提交时间:2019/12/23
Transketolase
Density functional theory (DFT) method
Reaction
mechanism
ThDP-dependent enzyme
2-Carbon fragment transfer
Computational studies on the catalytic mechanism of phosphoketolase
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1025, 页码: 1-7
作者:
Zhang, Jing
;
Liu, Yongjun
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Phosphoketolase
Density functional theory (DFT) method
Reaction
mechanism
THDP-dependent enzyme
Dehydration
Keto-Enol tautomerism
Theoretical studies on the common catalytic mechanism of transketolase by using simplified models
期刊论文
Journal of molecular graphics & modelling, 2013, 页码: 23-28
作者:
Sheng, X.
;
Liu, Y.
;
Liu, C.
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
2-Carbon fragment transfer
Density functional theory (DFT) method
Reaction mechanism
ThDP-dependent enzyme
Transketolase
Theoretical studies on the interaction mechanisms between tetrachloro-p-benzoquinone and hydrogen peroxide
期刊论文
Structural Chemistry, 2013, 卷号: 24, 期号: 4, 页码: 1253-1264
作者:
Li, P.
;
Wang, W.
;
Bi, S.
;
Sun, H.
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/23
AIM and NBO
Density functional theory (DFT)
Interaction mechanisms
Tetrachloro-p-benzoquinone
Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 卷号: 106, 页码: 275-283
作者:
Sun, Wenqi
;
Yuan, Guozan
;
Liu, Jingxin
;
Ma, Li
;
Liu, Chengbu
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
Quinolin
IR and UV-vis spectroscopy
DFT calculations
Electronic
structure properties
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