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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
昆明植物研究所 [4]
化学研究所 [3]
合肥物质科学研究院 [1]
广州能源研究所 [1]
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OAI收割 [9]
内容类型
期刊论文 [9]
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2020 [1]
2013 [1]
2006 [1]
2005 [3]
2004 [1]
2003 [2]
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Chemistry,... [2]
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浏览/检索结果:
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MoS2 Nanodots Anchored on Reduced Graphene Oxide for Efficient N-2 Fixation to NH3
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2020, 卷号: 8
作者:
Liu, Yanyan
;
Wang, Weikang
;
Zhang, Shengbo
;
Li, Wenyi
;
Wang, Guozhong
  |  
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2020/11/26
MoS2 nanodots
N-2 reduction reaction
C-S-C bridging bonds
ambient conditions
electrocatalysis
A density functional theory study of the hydrolysis mechanism of phosphodiester catalyzed by a mononuclear Zn(II) complex
期刊论文
OAI收割
journal of molecular catalysis a-chemical, 2013, 卷号: 368, 页码: 53-60
作者:
Zhang, Xuepeng
;
Gao, Hui
;
Xu, Huiying
;
Xu, Jianqiao
;
Chao, Hui
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2016/01/07
Phosphodiester
Zinc
Hydrolysis
Solvent effect
S(N)2 reaction
Deprotonation
A theoretical treatment of the intersystem crossing in the spin-forbidden reaction N(S-4)+CS2 (X-1 Sigma(+)(g))-> NS(X-2 Pi)+CS(X-1 Sigma(+))
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2006, 卷号: 770, 期号: 1-3, 页码: 1-6
作者:
Lu, Ling-Ling
;
Wang, Xiao-Fang
;
Wang, Yong-Cheng
;
Wang, Han-Qin
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/04/09
n(S-4) And Cs2(x (1)Sigma(+)(g))
Reaction Mechanism
Intersystem Crossing
DFT study on the reaction mechanisms of polyfluorosulfonate ester with F-
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 卷号: 730, 期号: 1-3, 页码: 143-150
作者:
Li, G
;
Yu, ZH
;
Zhu, SZ
;
Chen, QY
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/04/09
Polyfluoroalkylsulfonate
s(n)2 Reactions
Dft Method
Chemospecific Reaction
Front-side S(N)2 reaction, CF3SO3CF2CF3+F-, leading to the C-O cleavage
期刊论文
OAI收割
ACTA CHIMICA SINICA, 2005, 卷号: 63, 期号: 10, 页码: 897-902
作者:
Guo, L
;
Yu, ZH
;
Zhu, SZ
;
Chen, QY
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/04/09
Reaction Mechanism
Dft Method
Perfluorosulfonate
The Front-side s(n)2 Reaction
Theoretical investigation of ion pair S(N)2 reactions of alkali isothiocyanates with alkyl halides. Part 1. Reaction of lithium isothiocyanate and methyl fluoride with inversion mechanism
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2005, 卷号: 101, 期号: 1, 页码: 104-112
Zhu, HJ
;
Ren, Y
;
Ren, J
;
Chu, SY
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2012/10/12
ab initio
inversion mechanism
isothiocyanate
reaction pathway
S(N)2
thiocyanate
TRANSITION-STATE STRUCTURE
NUCLEOPHILIC-SUBSTITUTION REACTIONS
RETENTION MECHANISMS
CONFIGURATION
A theoretical study of the ion pair S(N)2 reaction between lithium isocyanates with methyl fluoride with inversion and retention mechanism
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 卷号: 686, 期号: 1-3, 页码: 65-70
作者:
Zhu, HJ
;
Ren, Y
;
Ren, J
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2012/10/12
cyanate and isocyanate
ion pair S(N)2 reaction
ab initio
inversion and retention mechanism
A theoretical study of the gas-phase ion pair S(N)2 reactions of lithium halide and methyl halide with inversion and retention mechanisms
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 卷号: 664, 页码: 279-289
作者:
Xiong, Y
;
Zhu, HJ
;
Ren, Y
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2012/10/12
ion pair
S(N)2 reaction
identity and non-identity
inversion and retention
Gas-phase non-identity S(N)2 reactions at neutral nitrogen: a hybrid DFT study
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2003, 卷号: 229, 期号: 3, 页码: 199-208
Yang, J
;
Ren, Y
;
Zhu, HJ
;
Chu, SY
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2012/10/12
S(N)2 at neutral nitrogen
hybrid DFT method
reaction mechanism
nucleophilicity
TRANSITION-STATE GEOMETRIES
NUCLEOPHILIC-SUBSTITUTION
METHYL HALIDES
SN2 REACTIONS
ANIONS
DISPLACEMENT
BARRIERS