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Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
作者:
Cheng, Shi-Bo
;
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/06/20
indeno[1,2-b] fluorene-6,12-dione-based molecules
intrinsic hole mobility
intrinsic electron mobility
electronic spectra
density functional theory (DFT)
structure-function relationship
DFT study on the active site of the monometric molybdenum anchored on silica for the selective oxidation of ethane to acetaldehyde
期刊论文
MOLECULAR CATALYSIS, 2018, 卷号: 460, 页码: 83-86
作者:
Sun, XY
;
Han, P
;
Li, PP
;
Li, B
;
Zhao, Z
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2018/12/25
Active site
DFT
Molybdenum oxide
Selective oxidation
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711
作者:
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
;
Cheng, Shi-Bo
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2019/05/08
Indeno[1,2-b] fluorene-6,12-dione-based molecules
Intrinsic hole mobility
Intrinsic electron mobility
Electronic spectra
Density functional theory (dft)
Structure-function relationship
DFT study on the active site of the monometric molybdenum anchored on silica for the selective oxidation of ethane to acetaldehyde
期刊论文
MOLECULAR CATALYSIS, 2018, 卷号: 460, 页码: 83-86
作者:
Sun, XiaoYing
;
Han, Peng
;
Li, PeiPei
;
Li, Bo
;
Zhao, Zhen
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2021/02/02
Active site
DFT
Molybdenum oxide
Selective oxidation
DFT study on the active site of the monometric molybdenum anchored on silica for the selective oxidation of ethane to acetaldehyde
期刊论文
MOLECULAR CATALYSIS, 2018, 卷号: 460, 页码: 83-86
作者:
Sun, XiaoYing
;
Han, Peng
;
Li, PeiPei
;
Li, Bo
;
Zhao, Zhen
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/02/02
Active site
DFT
Molybdenum oxide
Selective oxidation
Competitive McLafferty-type rearrangements of sodium adduct of anti-2,3-dihydroxy-1-phenylpentane-1,4-dione compounds in tandem mass spectrometry
期刊论文
EUROPEAN JOURNAL OF MASS SPECTROMETRY, 2018, 卷号: 24, 期号: 6, 页码: 437-441
作者:
Zhang, Xiayan
;
Xu, Xu
;
Chen, Xinmeng
;
Chen, Lin
;
Xu, Xiaoying
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2020/12/24
McLafferty-type rearrangement
sodium adduct
six-membered ring coordination
energy-resolved collision-induced dissociation
DFT calculation
Facet Sensitivity of Capping Ligand-Free Ag Crystals in CO2 Electrochemical Reduction to CO
期刊论文
CHEMCATCHEM, 2018, 卷号: 10, 期号: 22, 页码: 5128-5134
作者:
Yang, M
;
Zhang, JZ
;
Cao, YY
;
Wu, MF
;
Qian, K
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2018/12/25
Ligand-free Ag crystals
facet sensitivity
CO2
electrochemical reduction
Ag film
DFT
Facet Sensitivity of Capping Ligand-Free Ag Crystals in CO2 Electrochemical Reduction to CO
期刊论文
CHEMCATCHEM, 2018, 卷号: 10, 期号: 22, 页码: 5128-5134
作者:
Yang, Min
;
Zhang, Jiazhou
;
Cao, Yongyong
;
Wu, Minfang
;
Qian, Kun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2021/02/02
Ligand-free Ag crystals
facet sensitivity
CO2
electrochemical reduction
Ag film
DFT
Heterogeneous activation of peroxymonosulfate by LaFeO3 for diclofenac degradation: DFT-assisted mechanistic study and degradation pathways
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2018, 卷号: 352, 页码: 601-611
作者:
Huang, Yu
;
Guo, Huichao
;
Han, Fuman
;
Rao, YongFang
;
Ma, Jun
收藏
  |  
浏览/下载:255/0
  |  
提交时间:2018/10/11
Lafeo3
Peroxylmonosulfate (Pms)
Diclofenac (Dcf)
Dft
Reaction Mechanisms
Degradation Pathways
Shape-Controlled Synthesis of Metal-Organic Frameworks with Adjustable Fenton-Like Catalytic Activity
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 44, 页码: 38051-38056
作者:
Liu, Jiayi
;
Li, Xuning
;
Liu, Biao
;
Zhao, Chunxiao
;
Kuang, Zhichong
收藏
  |  
浏览/下载:94/0
  |  
提交时间:2019/06/20
secondary building units
shape-controlled
Prussian blue analogue
DFT calculation
Fenton reaction
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