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厦门大学 [2]
北京大学 [2]
西安交通大学 [2]
上海药物研究所 [2]
山东大学 [2]
清华大学 [1]
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期刊论文 [18]
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2018 [1]
2015 [1]
2013 [4]
2012 [2]
2010 [2]
2009 [2]
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Chemistry [2]
Physics [1]
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Theoretical Mechanistic Study of Nickel(0)Lewis Acid Catalyzed Polyfluoroarylcyanation of Alkynes Origin of Selectivity for C-CN Bond Activation
期刊论文
Organometallics, 2018, 卷号: 37, 期号: 15, 页码: 2594-2601
作者:
Ren, H.
;
Du, G. F.
;
Zhu, B.
;
Yang, G. C.
;
Yao, L. S.
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/09/17
carbon-carbon bonds
oxidative addition
organic-synthesis
h
activation
sigma-bond
cooperative catalysis
transition-elements
assisted cleavage
zerovalent nickel
metal-complexes
Chemistry
Application of Polarizable Ellipsoidal Force Field Model to Pnicogen Bonds
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 卷号: 36, 期号: 7, 页码: 441—448
作者:
Liu, F
;
Du, LK
;
Gao, J
;
Wang, LL
;
Song, B
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/12/09
SYMMETRY-ADAPTED PERTURBATION
CENTER-DOT-N
DENSITY-FUNCTIONAL THEORY
HYDROGEN-BOND
ELECTRON-DONORS
SIGMA-HOLE
NONCOVALENT INTERACTION
MOLECULAR-MECHANICS
CORRELATION-ENERGY
HALOGEN BONDS
Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrocarboxylation or a hydrosilylation process ?
期刊论文
journal of organometallic chemistry, 2013, 卷号: 745, 页码: 166-172
作者:
Zhao, Yi
;
Liu, Yuxia
;
Bi, Siwei
;
Liu, Yongjun
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2014/05/09
Hydrocarboxylation
Hydrosilylation
sigma bond metathesis
Insertion
Carbon dioxide
DFT
Highly Efficient Generation of Hydrogen from the Hydrolysis of Silanes Catalyzed by [RhCl(CO)(2)](2)
期刊论文
inorganic chemistry, 2013
Yu, Mengmeng
;
Jing, Huize
;
Fu, Xuefeng
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  |  
浏览/下载:6/0
  |  
提交时间:2015/11/10
H BOND ACTIVATION
RUTHENIUM COMPLEXES
SIGMA-COMPLEXES
SILYL ETHERS
OXIDATION
ALCOHOLYSIS
ORGANOSILANES
HYDROSILANES
ROUTE
DIPHENYLSILANE
Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrocarboxylation or a hydrosilylation process ?
期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2013, 卷号: 745, 页码: 166-172
作者:
Zhao, Yi
;
Liu, Yuxia
;
Bi, Siwei
;
Liu, Yongjun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
Hydrocarboxylation
Hydrosilylation
sigma bond metathesis
Insertion
Carbon dioxide
DFT
Polarization-enhanced bonding process of halogen bond, a theoretical study on F-H/F-X (X = F, Cl, Br, I) and ammonia
期刊论文
CHEMICAL PHYSICS, 2013, 卷号: 426, 页码: 16-22
作者:
Bi, Fuzhen
;
Gao, Jun
;
Wang, Lili
;
Du, Likai
;
Song, Bo
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
Halogen bond
sigma-Hole
DFT-SAPT
Polarization
Electrostatic
interaction
Charge transfer
Quadruple bonding in C-2 and analogous eight-valence electron species
期刊论文
http://dx.doi.org/10.1038/nchem.1263, 2012
Shaik, S.
;
Danovich, D.
;
Wu, W.
;
Su, P. F.
;
Rzepa, H. S.
;
Hiberty, P. C.
;
吴玮
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  |  
浏览/下载:4/0
  |  
提交时间:2013/12/12
POTENTIAL-ENERGY CURVES
AB-INITIO CALCULATIONS
MAIN-GROUP ELEMENTS
MULTIPLE BONDS
QUINTUPLE BOND
MOLECULES
STATES
X-1-SIGMA(+)(G)
CHEMISTRY
CLUSTERS
Adsorption of hydrogen and deuterium in MnO2 modified NaX zeolites
期刊论文
Microporous and Mesoporous Materials, 2012, 卷号: 152, 页码: 219-223
J. S. Shi
;
J. Li
;
E. D. Wu
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2013/02/05
Zeolite
Hydrogen adsorption
Surface modification
Kubas interaction
sigma-bond
storage
physisorption
coordination
spillover
isotopes
moo3
Ion-pair dissociation of N/sub 2/O in the 16.25-16.41 eV: dynamics and electronic structure
期刊论文
2010, 2010
Chang Zhou
;
Yuxiang Mo
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  |  
浏览/下载:6/0
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