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西北高原生物研究所 [18]
北京大学 [8]
大连化学物理研究所 [5]
厦门大学 [3]
长春应用化学研究所 [3]
福建物质结构研究所 [1]
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期刊论文 [42]
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物理化学与绿色催化 [1]
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浏览/检索结果:
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Acidic permanganate oxidation of sulfamethoxazole by stepwise electron-proton transfer
期刊论文
CHEMOSPHERE, 2019, 卷号: 222, 页码: 71-82
作者:
Song, Dean
;
Jefferson, William A.
;
Cheng, Hanyang
;
Jiang, Xiaohua
;
Qiang, Zhimin
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2020/10/23
Sulfamethoxazole
Permanganate
N-H bond oxidation
Bronsted acid catalysis
Stepwise electron-proton transfer
Newly proposed proton-abstraction roundabout with backside attack mechanism for the S(N)2 reaction at the nitrogen center in F- + NH2ClSCI原文链接
期刊论文
2018, 卷号: 20, 期号: 17, 页码: 12106-12111
作者:
Li, Yongfang[1]
;
Wang, Dunyou[1]
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  |  
浏览/下载:5/0
  |  
提交时间:2020/01/07
State-resolved differential and integral cross sections for the Ne + H-2(+) (v=0-2, j=0) -> NeH+ + H reaction
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 18
作者:
Wu, Hui
;
Yao, Cui-Xia
;
He, Xiao-Hu
;
Zhang, Pei-Yu
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  |  
浏览/下载:9/0
  |  
提交时间:2019/06/20
Formation mechanisms of 3,4-dinitrofuroxan via nitration reaction of furoxan
期刊论文
CHEMICAL PHYSICS LETTERS, 2016, 卷号: 647, 页码: 85-88
作者:
Peng, Yajing
;
Ye, Yuqing
;
Liu, Jianyong
;
Lai, Weipeng
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  |  
浏览/下载:16/0
  |  
提交时间:2019/06/20
Bio-activation of 4-alkyl analogs of 1,4-dihydropyridine mediated by cytochrome P450 enzymes
期刊论文
Journal of Biological Inorganic Chemistry, 2015, 卷号: 20, 期号: 4, 页码: 665-673
作者:
Li, Xiao-Xi
;
Zhang, Xiaoqian
;
Zheng, Qing-Chuan
;
Wang, Yong
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  |  
浏览/下载:17/0
  |  
提交时间:2015/10/28
Cytochrome P450 enzyme
Density functional calculations
C-C bond cleavage
Bond dissociation energy
Proton-coupled electron transfer
A Combined IM-MS/DFT Study on [Pd( MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2015
Cheng, Gui-Juan
;
Chen, Ping
;
Sun, Tian-Yu
;
Zhang, Xinhao
;
Yu, Jin-Quan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2017/12/03
amino acids
asymmetric catalysis
C-H activation
density functional calculations
enantioselectivity
mass spectrometry
MOBILITY-MASS-SPECTROMETRY
CARBON-HYDROGEN BONDS
CATALYZED INTRAMOLECULAR ARYLATION
PROTON-ABSTRACTION MECHANISM
AB-INITIO PSEUDOPOTENTIALS
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
ALPHA-AMINO-ACIDS
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
Cyclopentadiene-Phosphine/Palladium-Catalyzed Synthesis of Indolizines from Pyrrole and 1,4-Dibromo-1,3-butadienes
期刊论文
ORGANIC LETTERS, 2015
Hao, Wei
;
Wang, Han
;
Ye, Qingyu
;
Zhang, Wen-Xiong
;
Xi, Zhenfeng
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  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
PROTON-ABSTRACTION MECHANISM
C-H ACTIVATION
EFFICIENT SYNTHESIS
OXIDATIVE ADDITION
DIRECT ARYLATION
DEHYDROGENATIVE CYCLIZATION
INTRAMOLECULAR ARYLATION
HIGHLY FLUORESCENT
ORGANIC-SYNTHESIS
BOND FORMATION
Mechanism, Reactivity, and Selectivity in Rh(III)-Catalyzed Phosphoryl-Directed Oxidative C-H Activation/Cyclization: A DFT Study
期刊论文
http://dx.doi.org/10.1021/jo500616g, 2014
Liu, Liu
;
Wu, Yile
;
Wang, Tao
;
Gao, Xiang
;
Zhu, Jun
;
Zhao, Yufen
;
汪涛
;
朱军
;
赵玉芬
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
MOLECULAR-ORBITAL METHODS
DENSITY-FUNCTIONAL THEORY
GAUSSIAN-TYPE BASIS
CATALYZED INTRAMOLECULAR ARYLATION
PROTON-ABSTRACTION MECHANISM
POTENTIAL BASIS-SETS
ONE-POT SYNTHESIS
BOND ACTIVATION
POLARIZATION FUNCTIONS
ROOM-TEMPERATURE
A QM/MM study of the catalytic mechanism of aspartate ammonia lyase
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, Zhang, J; Liu, YJ.A QM/MM study of the catalytic mechanism of aspartate ammonia lyase,JOURNAL OF MOLECULAR GRAPHICS & MODELLING,2014,51():113, 2014
Zhang, Jing
;
Liu, Yongjun
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/06/14
A QM/MM study of the catalytic mechanism of aspartate ammonia lyase
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, Zhang, J; Liu, YJ.A QM/MM study of the catalytic mechanism of aspartate ammonia lyase,JOURNAL OF MOLECULAR GRAPHICS & MODELLING,2014,51():113, 2014
Zhang, Jing
;
Liu, Yongjun
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/06/21
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