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科研机构
化学研究所 [11]
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期刊论文 [11]
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2018 [1]
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专题:化学研究所
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Comparative computational study on C-C/C-N/C-Br bond formations in Rh(III)-catalyzed C-H functionalizations: Stepwise versus concerted mechanisms
期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2018, 卷号: 864, 页码: 105-109
作者:
Hu, Lianrui
;
Chen, Hui
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/04/09
C-h Functionalization
Rhodium
Dft Calculation
Reaction Mechanism
Stepwise Pathway
Concerted Pathway
What Factors Control the Reactivity of Cobalt-Imido Complexes in C-H Bond Activation via Hydrogen Abstraction?
期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 期号: 1, 页码: 285-292
作者:
Hu, Lianrui
;
Chen, Hui
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2018/01/10
Hydrogen Atom Abstraction
Cobalt-imido
C-h Activation
Amination
Cyclometalation
Dft Calculation
Radical-facilitated Reactivity
Exchange-enhanced Reactivity
Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization
期刊论文
ACS CATALYSIS, 2016, 卷号: 6, 期号: 1, 页码: 176-185
作者:
Lin, Fei
;
Wang, Xingbao
;
Pan, Yupeng
;
Wang, Meiyan
;
Liu, Bo
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2016/03/14
ligand design
rare-earth metal complexes
styrene polymerization
syndiotactic
DFT calculation
Catalytic Epoxidation Reaction over N-Containing sp(2) Carbon Catalysts
期刊论文
ACS CATALYSIS, 2014, 卷号: 4, 期号: 5, 页码: 1261-1266
作者:
Li, Wenjing
;
Gao, Yongjun
;
Chen, Wulin
;
Tang, Pei
;
Li, Weizhen
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/04/09
Nitrogen-doped Graphene
Carbon Catalyst
Trans-stilbene
Epoxidation
Dft Calculation
Assignment of the mu(4)-O5 atom in catalytic center for water oxidation in photosystem II
期刊论文
CHINESE SCIENCE BULLETIN, 2013, 卷号: 58, 期号: 26, 页码: 3213-3216
作者:
Wang YaNan
;
Zhang ChunXi
;
Wang Luan
;
Zhao JingQuan
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  |  
浏览/下载:17/0
  |  
提交时间:2019/04/09
Photosystem Ii
Mn-cluster
Water Oxidation
Mn-complex
Dft Calculation
Photocatalytic Properties of Graphdiyne and Graphene Modified TiO2: From Theory to Experiment
期刊论文
ACS NANO, 2013, 卷号: 7, 期号: 2, 页码: 1504-1512
作者:
Yang, Nailiang
;
Liu, Yuanyuan
;
Wen, Hao
;
Tang, Zhiyong
;
Zhao, Huijun
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  |  
浏览/下载:9/0
  |  
提交时间:2019/04/09
Graphdiyne
Graphene
Tio2
Composite
Crystal Facet
Dft Calculation
Photocatalysis
Living syndiospecific polymerization of propylene promoted by C-1-symmetric titanium complexes activated by dried MAO
期刊论文
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 2012, 卷号: 50, 期号: 4, 页码: 638-648
作者:
Long, Ying-Yun
;
Wang, Yong-Xia
;
Liu, Jing-Yu
;
Li, Yue-Sheng
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  |  
浏览/下载:13/0
  |  
提交时间:2019/04/09
Dft Calculation
Living Polymerization
Polyolefins
Titanium Complex
Ziegler-natta Polymerization
Metal salen coordination compounds: A new type of ambipolar charge transport materials
期刊论文
SYNTHETIC METALS, 2010, 卷号: 160, 期号: 21-22, 页码: 2299-2305
作者:
Qu, Li
;
Wang, Dan
;
Zhong, Cheng
;
Zou, Yinjun
;
Li, Jun
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/04/09
Metal Salen Compounds
Mobility
Tof
Ambipolar Charge Transport
Dft Calculation
Highly selective synthesis of triptycene o-quinone derivatives and their optical and electrochemical properties
期刊论文
TETRAHEDRON LETTERS, 2009, 卷号: 50, 期号: 2, 页码: 219-222
作者:
Zhao, Jian-Min
;
Lu, Hai-Yan
;
Cao, Jing
;
Jiang, Yi
;
Chen, Chuan-Feng
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/04/09
Triptycene O-quinone
Selective Synthesis
Intramolecular Ct interaCtion
Optical And Electrochemical Properties
Dft Calculation
Structure and electronic properties for a newly synthesized red fluorescent material
期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2006, 卷号: 770, 期号: 1-3, 页码: 73-77
作者:
Liu, Xiaojun
;
Ju, Haidong
;
Zhao, Xian
;
Tao, Xutang
;
Bian, Wensheng
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/04/09
Red Fluorescent Material
Dft Calculation
Electronic Structure
Vibrational Frequencies
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