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Unique role of Mossbauer spectroscopy in assessing structural features of heterogeneous catalysts 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2018, 卷号: 224, 页码: 518-532
Authors:  Li, Xuning;  Zhu, Kaiyue;  Pang, Jifeng;  Tian, Ming;  Liu, Jiayi;  Rykov, Alexandre I.;  Zheng, Mingyuan;  Wang, Xiaodong;  Zhu, Xuefeng;  Huang, Yanqiang;  Liu, Bin;  Wang, Junhu;  Yang, Weishen;  Zhang, Tao
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Mossbauer Spectroscopy  Catalytic Reactions  Electrocatalysis  Fischer-tropsch Synthesis  Mechanism Investigation  
Reaction between i-C4H3 Radical and Acetylene (C2H2): Is Phenyl (C6H5) the Primary Product? 期刊论文
ENERGY & FUELS, 2018, 卷号: 32, 期号: 4, 页码: 5581-5587
Authors:  Wang, Endong;  Ding, Junxia;  Han, Keli
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Molecular dynamics simulation of the high-temperature pyrolysis of methylcyclohexane 期刊论文
FUEL, 2018, 卷号: 217, 页码: 185-192
Authors:  Liu, Yalan;  Ding, Junxia;  Han, Ke-Li
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Methylcyclohexane  Pyrolysis  Intermediate Reactions  Kinetic Behavior  
A systematic theoretical study on FeOx-supported single-atom catalysts: M-1/FeOx for CO oxidation 期刊论文
NANO RESEARCH, 2018, 卷号: 11, 期号: 3, 页码: 1599-1611
Authors:  Liang, Jinxia;  Yu, Qi;  Yang, Xiaofeng;  Zhang, Tao;  Li, Jun
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Single-atom Catalyst  M-1/feox  Density Functional Theory  Heterogeneous Catalysis  
The sensing mechanism studies of the fluorescent probes with electronically excited state calculations 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2018, 卷号: 8, 期号: 2
Authors:  Li, Guang-Yue;  Han, Ke-Li
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Elaborating the excited state behavior of 2-(4-N,N-dimethylaminophenyl)-imidazo[4,5-c]pyridine coupling with methanol solvent 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 3
Authors:  Yang, Dapeng;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli
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Electronic Spectra  Hydrogen Bond  Ir Spectra  Potential Energy Curves  
Hydrogen oxidation reaction in alkaline media: From mechanism to recent electrocatalysts 期刊论文
NANO ENERGY, 2018, 卷号: 44, 页码: 288-303
Authors:  Cong, Yuanyuan;  Yi, Baolian;  Song, Yujiang
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Hydroxide Exchange Membrane Fuel Cells  Alkaline Hydrogen Oxidation Reaction  Mechanism  Activity Descriptors  Electrocatalysts  
Pd-Containing Nanostructures for Electrochemical CO2 Reduction Reaction 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 2, 页码: 1510-1519
Authors:  Gao, Dunfeng;  Zhou, Hu;  Cai, Fan;  Wang, Jianguo;  Wang, Guoxiong;  Bao, Xinhe
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Electrochemical Co2 Reduction Reaction  Pd-containing Nanostructures  Active Site  Active Phase Transformation  Bimetallic Catalysts  Electrochemical Promotion Of Catalysis  Coupled Thermo- And Electrocatalysis  Density Functional Theory Calculations  
Reaction mechanisms of 3-amino-4-nitro-furoxan formation by 3-amide-4-nitro-furoxan and sodium hypochlorite in water and benzene solvents 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2018, 卷号: 1125, 页码: 69-76
Authors:  Peng, Yajing;  Sun, Shuang;  Ye, Yuqing;  Liu, Jianyong
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Dehydration  Chlorination  Furoxan  Hydrolysis  Formation Mechanism  
Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline-pyrazole isomer QP-I: A theoretical study 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 1
Authors:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Song, Nahong;  Zheng, Rui;  Wang, Yusheng
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Excited State Proton Transfer  Frontier Molecular Orbitals  Intramolecular Hydrogen Bond  Potential Energy Curves