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科研机构
生态环境研究中心 [5]
北京大学 [4]
化学研究所 [2]
过程工程研究所 [2]
厦门大学 [1]
大连化学物理研究所 [1]
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期刊论文 [15]
学位论文 [1]
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2020 [2]
2019 [2]
2017 [2]
2016 [1]
2015 [1]
2013 [1]
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Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments
期刊论文
FUEL, 2020, 卷号: 268, 页码: 12
作者:
Zheng, Mo
;
Pan, Yang
;
Wang, Ze
;
Li, Xiaoxia
;
Guo, Li
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/05/21
Coal pyrolysis
SVUV-PIMS
ReaxFF MD simulation
Py-GC/MS
Reaction pathways
Distribution of Spin Density on Phenoxyl Radicals Affects the Selectivity of Aerobic Oxygenation of Phenols
期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 6, 页码: 3562-3569
作者:
Wang, YT
;
Guan, J
;
Mei, BB
;
Fan, MT
;
Lu, R
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/09/06
OXIDATIVE POLYMERIZATION
COPPER(II) COMPLEXES
SUBSTITUTED PHENOLS
CATALYZED OXIDATION
MAGNETIC-RESONANCE
MOLECULAR-OXYGEN
2,3,6-TRIMETHYLPHENOL
TRIMETHYL-1,4-BENZOQUINONE
REACTIVITY
CHLORIDE
Quantum Chemical and Kinetic Study on Radical/Molecule Formation Mechanism of Pre-Intermediates for PCTA/PT/DT/DFs from 2-Chlorothiophenol and 2-Chlorophenol Precursors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 7, 页码: -
作者:
Zuo, Chenpeng
;
Wang, Hetong
;
Pan, Wenxiao
;
Zheng, Siyuan
;
Xu, Fei
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  |  
浏览/下载:7/0
  |  
提交时间:2020/10/21
PCTA
PT
DTs
formation mechanism
radical
molecule coupling
density functional theory
rate constant
Interfacial formation of environmentally persistent free radicals-A theoretical investigation on pentachlorophenol activation on montmorillonite in PM2.5
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 169, 页码: 623-630
作者:
Pan, Wenxiao
;
Chang, Jiamin
;
Liu, Xian
;
Xue, Qiao
;
Fu, Jianjie
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  |  
浏览/下载:57/0
  |  
提交时间:2020/10/21
Environmentally persistent free radical
Montmorillonite
Interfacial reaction and activation
Density functional theory calculation
Atmospheric fine particulate matters
Theoretical study on the formation mechanism of pre-intermediates for PXDD/Fs from 2-Bromophenol and 2-Chlorophenol precursors via radical/molecule reactions
期刊论文
ENVIRONMENTAL POLLUTION, 2017, 卷号: 225, 期号: 0, 页码: 439-449
作者:
Fu, Jianjie
;
Pan, Wenxiao
;
Zhang, Aigian
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  |  
浏览/下载:20/0
  |  
提交时间:2018/07/26
Pxdd/fs
Formation Mechanism
Radical/molecule Reactions
Dft Study
Mechanochemical mechanism of rapid dechlorination of hexachlorobenzene
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2017, 卷号: 333, 期号: 0, 页码: 116-127
作者:
Kang, Shaoguo
;
Deng, Shanshan
;
Feng, Nannan
;
Zhu, Jianxin
;
Yu, Bo
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  |  
浏览/下载:28/0
  |  
提交时间:2018/07/25
Mechanochemical Treatment
Free Radical Reaction
Dechlorination Mechanism
Density Functional Theory (Dft)
Hexachlorobenzene (Hcb)
Transformation and products of captopril with humic constituents during laccase-catalyzed oxidation: Role of reactive intermediates
期刊论文
WATER RESEARCH, 2016, 卷号: 106, 期号: DEC, 页码: 488-495
作者:
Du, Penghui
;
Zhao, He
;
Liu, Chenming
;
Huang, Qingguo
;
Cao, Hongbin
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2017/03/24
Captopril
Humic constitutes
Laccase
Cross-coupling
Nucleophilic reaction
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
Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(5-C5H5) and p-G-C6H4SFe(CO)2(5-C5H5) studied using Hartree-Fock and density functional theory methods
期刊论文
http://dx.doi.org/10.1002/poc.3152, 2013
Zeng, Qing
;
Li, Zucheng
;
Dong, Ling
;
Han, Daxiong
;
Wang, Rufeng
;
Li, Xiangri
;
Bai, Genben
;
韩大雄
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
DISSOCIATION-ENERGIES
C-H
ORGANOMETALLIC COMPOUNDS
SPIN-DELOCALIZATION
THIOLATE COMPLEXES
PHENOXYL RADICALS
BINDING-ENERGIES
METAL-LIGAND
N-H
PARASUBSTITUTED PHENOLS
卤代苯醌与氢过氧化物的反应机制异羟肟酸类药物的保护机理研究
学位论文
博士, 北京: 中国科学院研究生院, 2009
作者:
单国强
收藏
  |  
浏览/下载:137/0
  |  
提交时间:2016/12/27
烷氧自由基
carbon-centered quinone ketoxy radical(&
二氯苯醌
8226
叔丁基过氧化氢
CBQ=O)
以碳为中心的醌酮自由基
alkoxyl radical
苯甲异羟肟酸
Lossen rearrangement
Lossen重排
benzohydox
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