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上海药物研究所 [2]
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长春光学精密机械与物... [1]
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OAI收割 [9]
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期刊论文 [9]
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Chemistry [2]
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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
OAI收割
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:17/0
  |  
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
OAI收割
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:19/0
  |  
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
OAI收割
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:20/0
  |  
提交时间:2014/05/09
Hydrocarboxylation
Hydrosilylation
sigma bond metathesis
Insertion
Carbon dioxide
DFT
Adsorption of hydrogen and deuterium in MnO2 modified NaX zeolites
期刊论文
OAI收割
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:26/0
  |  
提交时间:2013/02/05
Zeolite
Hydrogen adsorption
Surface modification
Kubas interaction
sigma-bond
storage
physisorption
coordination
spillover
isotopes
moo3
Theoretical studies on the reaction mechanism of palladium(0)-catalyzed addition of thiocyanates to alkynes
期刊论文
OAI收割
dalton transactions, 2008, 期号: 29, 页码: 3879-3888
Wang MY
;
Cheng L
;
Wu ZJ
收藏
  |  
浏览/下载:177/31
  |  
提交时间:2010/04/14
TRANSITION-METAL-COMPLEXES
AB-INITIO MO/MP4
HIGHLY REGIOSELECTIVE CYANOTHIOLATION
QUADRATIC CONFIGURATION-INTERACTION
PALLADIUM-CATALYZED REACTIONS
COUPLED-CLUSTER SINGLES
SE BOND ADDITION
C-C BONDS
OXIDATIVE ADDITION
SIGMA-BOND
sigma pi scheme in atom-bond electronegativity equalization method
期刊论文
OAI收割
journal of the chinese chemical society, 2003, 卷号: 50, 期号: 3b, 页码: 785-794
作者:
Yang, ZZ
;
Cong, Y
;
Zhao, DX
;
Wang, CC
;
Bao, XH
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2015/11/09
atom-bond
electronegativity equalization method
sigma pi scheme
large organic and biological molecules
String order in half-integer-spin antiferromagnetic Heisenberg chains
期刊论文
OAI收割
PHYSICAL REVIEW LETTERS, 2003, 卷号: 91, 期号: 8, 页码: -
作者:
Lou, JZ
;
Qin, SJ
;
Chen, CF
;
Lou, JZ , Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA.
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收藏
  |  
浏览/下载:16/0
  |  
提交时间:2012/08/29
Quantum Renormalization-groups
Bond Ground-states
Long-range Order
Edge States
Sigma-model