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厦门大学 [4]
物理研究所 [2]
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青海盐湖研究所 [2]
北京大学 [1]
大连化学物理研究所 [1]
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期刊论文 [12]
发表日期
2012 [12]
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A new Mo/V-oxide-based cationic species templated by Keggin polyoxotungstates (4-) and its catalytic activity in benzene hydroxylation
期刊论文
journal of molecular structure, 2012, 卷号: 1030, 页码: 83-88
作者:
Wu, Qing
;
Yang, Hua
;
Cheng, Hong-Wei
;
Liu, Zhi-Guang
;
You, Wan-Sheng
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/13
Polyoxometa late
Organic-inorganic hybrid
Mo/V-oxide-based cation
Hydroxylation
Redox-Asymmetric Bisruthenium Complex Bridged by a Pyridin-4-yl Moiety: Synthesis, Characterization, and Electronic Coupling Studies
期刊论文
ORGANOMETALLICS, 2012, 卷号: 31, 期号: 24, 页码: 8577-8583
作者:
Yang, Wen-Wen
;
Yao, Jiannian
;
Zhong, Yu-Wu
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/04/09
The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H-center dot with X = O, NH, and CH2
期刊论文
http://dx.doi.org/10.1021/ct3004595, 2012
Cembran, A.
;
Provorse, M. R.
;
Wang, C. W.
;
Wu, W.
;
Gao, J. L.
;
吴玮
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2013/12/12
COUPLED ELECTRON-TRANSFER
DENSITY-FUNCTIONAL THEORY
VALENCE-BOND THEORY
POTENTIAL-ENERGY SURFACES
AB-INITIO
TRANSFER MECHANISMS
CHEMICAL-REACTIONS
S(N)2 REACTION
RATE CONSTANTS
MARCUS-THEORY
Reactivity Control of C?H Bond Activation over Vanadium-Silver Bimetallic Oxide Cluster Cations
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2012, 卷号: 18, 期号: 35, 页码: 10998-11006
作者:
Li, Xiao-Na
;
Wu, Xiao-Nan
;
Ding, Xun-Lei
;
Xu, Bo
;
He, Sheng-Gui
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/04/09
c?c?C?c?h Activation
Density Functional Calculations
Mass Spectrometry
Oxygen-centered Radicals
Cluster Compounds
Correlations between B-11 NMR parameters and structural characters in borate and borosilicate minerals investigated by high-resolution MAS NMR and ab initio calculations
期刊论文
PHYSICS AND CHEMISTRY OF MINERALS, 2012, 卷号: 39, 期号: 5, 页码: 363-372
作者:
Zhou, Bing
;
Sun, Zhaohua
;
Yao, Yefeng
;
Pan, Yuanming
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2018/06/19
Ultra High Field
High-resolution Solid-state Nmr
Borates
Borosilicates
Ab Initio Calculations
Bridging Oxygen
Nnn Cations
Fbb Symmetry
Bond Valence
Correlation
Correlations between B-11 NMR parameters and structural characters in borate and borosilicate minerals investigated by high-resolution MAS NMR and ab initio calculations
期刊论文
PHYSICS AND CHEMISTRY OF MINERALS, 2012, 卷号: 39, 期号: 5, 页码: 363-372
作者:
Zhou, Bing
;
Sun, Zhaohua
;
Yao, Yefeng
;
Pan, Yuanming
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2018/06/19
Ultra High Field
High-resolution Solid-state Nmr
Borates
Borosilicates
Ab Initio Calculations
Bridging Oxygen
Nnn Cations
Fbb Symmetry
Bond Valence
Correlation
Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl Rings
期刊论文
http://dx.doi.org/10.1021/ct2008318, 2012
Mo, Yirong
;
Song, Lingchun
;
Lin, Yuchun
;
Liu, Minghong
;
Cao, Zexing
;
Wu, Wei
;
曹泽星
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2013/12/12
ELECTRON-TRANSFER REACTIONS
POTENTIAL-ENERGY SURFACES
AB-INITIO CALCULATIONS
VALENCE-BOND THEORY
MULTICONFIGURATION MOLECULAR-MECHANICS
TRANSFER MATRIX-ELEMENTS
LIGHT-EMITTING-DIODES
CONJUGATED POLYMERS
CHEMICAL-REACTIONS
REORGANIZATION ENERGIES
Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl Rings
期刊论文
http://dx.doi.org/10.1021/ct2008318, 2012
Mo, Y. R.
;
Song, L. C.
;
Lin, Y. C.
;
Liu, M. H.
;
Cao, Z. X.
;
Wu, W.
;
吴玮
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2013/12/12
ELECTRON-TRANSFER REACTIONS
POTENTIAL-ENERGY SURFACES
AB-INITIO CALCULATIONS
VALENCE-BOND THEORY
MULTICONFIGURATION MOLECULAR-MECHANICS
TRANSFER MATRIX-ELEMENTS
LIGHT-EMITTING-DIODES
CONJUGATED POLYMERS
CHEMICAL-REACTIONS
REORGANIZATION ENERGIES
Charge ordered state and structural distortions in Fe2OBO3
期刊论文
PHYSICAL REVIEW B, 2012, 卷号: 86, 期号: 4
Chen, Z
;
Ma, C
;
Song, YJ
;
Yang, HX
;
Tian, HF
;
Li, JQ
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2013/09/17
BOND-VALENCE PARAMETERS
EDGE FINE-STRUCTURES
VERWEY TRANSITION
SPECTROSCOPY
OXIDES
MAGNETITE
Kondo Metal and Ferrimagnetic Insulator on the Triangular Kagome Lattice
期刊论文
PHYSICAL REVIEW LETTERS, 2012, 卷号: 108, 期号: 24
Chen, YH
;
Tao, HS
;
Yao, DX
;
liu, WM
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2013/09/18
OPTICAL LATTICES
MOTT INSULATOR
QUANTUM
SUPERCONDUCTIVITY
GASES
ATOMS
STATE
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