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大连化学物理研究所 [8]
山东大学 [6]
厦门大学 [5]
北京大学 [4]
西安交通大学 [3]
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期刊论文 [40]
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2021 [1]
2020 [2]
2018 [2]
2017 [1]
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Photoinduced Release of Volatile Organic Compounds from Fatty Alcohols at the Air-Water Interface: The Role of Singlet Oxygen Photosensitized by a Carbonyl Group
期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 13, 页码: 8683-8690
作者:
Lin, Jingyi
;
Dai, Qin
;
Zhao, He
;
Cao, Hongbin
;
Wang, Tianyu
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/08/31
air-water interface
photochemical reaction
singlet oxygen
hydrogen abstraction
volatile organic compounds
fatty alcohol
electron spin resonance
An unexpected new pathway for nitroxide radical production via more reactve nitrogen-centered amidyl radical intermediate during detoxification of the carcinogenic halogenated quinones by N-alkyl hydroxamic acids
期刊论文
FREE RADICAL BIOLOGY AND MEDICINE, 2020, 卷号: 146, 页码: 150-159
作者:
Zhu, Ben-Zhan
;
Xu, Dan
;
Qin, Li
;
Huang, Chun-Hua
;
Xie, Lin-Na
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  |  
浏览/下载:33/0
  |  
提交时间:2021/09/14
N-centered amidyl radical
Nitroxide radical
Hydrogen-abstraction
Tetrachloroquinoid compounds
N-alkyl hydroxamic acids
Biotransformation Mechanism of Pesticides by Cytochrome P450: A DFT Study on Dieldrin
期刊论文
CHEMICAL RESEARCH IN TOXICOLOGY, 2020, 卷号: 33, 期号: 6, 页码: 1442-1448
作者:
Chai, Lihong
;
Ji, Shujing
;
Zhang, Shubin
;
Yu, Haiying
;
Zhao, Meirong
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  |  
浏览/下载:24/0
  |  
提交时间:2020/08/07
C-H HYDROXYLATION
AB-INITIO
HYDROGEN ABSTRACTION
HUMAN METABOLISM
DRUG-METABOLISM
COMPOUND-I
ENZYMES
POTENTIALS
POPULATION
PREDICTION
Accurate Calculation of the Energy Barriers and Rate Constants of the Large-size Molecular Reaction System for Abstraction from Alkyl Hydroperoxides
期刊论文
ACTA CHIMICA SINICA, 2018, 卷号: Vol.76 No.4, 页码: 311-318
作者:
Chen Fangfang
;
Sun Xiaohui
;
Yao Qian
;
Li Zerong
;
Wang Jingbo
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  |  
浏览/下载:3/0
  |  
提交时间:2019/02/25
hydrogen abstraction of alkyl hydroperoxides
reactant complex
reaction class isodesmic reaction method
rate constant
negative activation energy
Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes
期刊论文
INORGANICA CHIMICA ACTA, 2018, 卷号: 482, 页码: 709-716
-
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  |  
浏览/下载:3/0
  |  
提交时间:2020/01/03
Aminyl
Hydrogen atom abstraction
N-C coupling
Radical
Nitrene
What Factors Control the Reactivity of Cobalt-Imido Complexes in C-H Bond Activation via Hydrogen Abstraction?
期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 期号: 1, 页码: 285-292
作者:
Hu, Lianrui
;
Chen, Hui
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浏览/下载:27/0
  |  
提交时间:2018/01/10
Hydrogen Atom Abstraction
Cobalt-imido
C-h Activation
Amination
Cyclometalation
Dft Calculation
Radical-facilitated Reactivity
Exchange-enhanced Reactivity
Theoretical study of the effect of ligand topology on Fe(IV)O and Ru(IV)O complex reactivities
期刊论文
INORGANICA CHIMICA ACTA, 2016, 卷号: 443, 页码: 235-242
作者:
Tang, Zhe
;
Wang, Yi
;
Cui, Xiaolei
;
Yang, Ying
;
Tian, Jing
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  |  
浏览/下载:14/0
  |  
提交时间:2019/06/20
Non-heme
Density Functional Theory Calculation
Hydrogen Abstraction
Ligand Topology Effect
How does the extent of substitution of methane with chlorine influence the mechanism and kinetics of the reactions between chloromethanes and atomic chlorine
期刊论文
KINETICS AND CATALYSIS, 2016, 卷号: 57, 期号: 2, 页码: 145-153
Yu, A. Y.
;
Hu, Q. M.
;
Yang, R.
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  |  
浏览/下载:11/0
  |  
提交时间:2016/08/22
rate coefficients
variational transition state theory
hydrogen abstraction
reaction pathway
Multicomponent kinetic analysis and theoretical studies on the phenolic intermediates in the oxidation of eugenol and isoeugenol catalyzed by laccase
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015
Qi, Yan-Bing
;
Wang, Xiao-Lei
;
Shi, Ting
;
Liu, Shuchang
;
Xu, Zhen-Hao
;
Li, Xiqing
;
Shi, Xuling
;
Xu, Ping
;
Zhao, Yi-Lei
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
MULTIVARIATE CURVE RESOLUTION
PHENETHYL PHENYL ETHERS
ALPHA/BETA-SELECTIVITIES
COMPUTATIONAL PREDICTION
HYDROGEN ABSTRACTION
LIGNIN BIOSYNTHESIS
MEDIATOR-SYSTEMS
FUNGAL LACCASES
PYROLYSIS
DEHYDRODIEUGENOL
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
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