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    Chinese Abstracts
    2022, 35(4): iii-vi.
    Abstract PDF
    Design of CuCs-doped Ag-based Catalyst for Ethylene Epoxidation
    Qi-xing Wen, Haoxiang Xu, Yang Nan, Yuan Xie, Daojian Cheng
    2022, 35(4): 589-599. DOI: 10.1063/1674-0068/cjcp2111246
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    Reaction Mechanism of One-Step Conversion of Ethanol to 1, 3-Butadiene over Zn-Y/BEA and Superior Catalysts Screening
    Shu-Xuan Dang, Han-Xuan Liu, Tao Ban, Xin Gao, Zheng-Qing Huang, Dong-Yuan Yang, Chun-Ran Chang
    2022, 35(4): 600-610. DOI: 10.1063/1674-0068/cjcp2204078
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    Dehydroxylation of Glycerol on Pt Surfaces: Ab Initio Molecular Dynamics Study
    Jiaxuan Xie, Jian Liu, Bo Yang
    2022, 35(4): 611-618. DOI: 10.1063/1674-0068/cjcp2201003
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    Understanding the Effect of the Exchange-Correlation Functionals on Methane and Ethane Formation over Ruthenium Catalysts
    Chen Chen, Minzhen Jian, Jin-Xun Liu, Wei-Xue Li
    2022, 35(4): 619-628. DOI: 10.1063/1674-0068/cjcp2203049
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    Dynamic Simulation on Surface Hydration and Dehydration of Monoclinic Zirconia
    Guang-Jie Xia, Yang-Gang Wang
    2022, 35(4): 629-638. DOI: 10.1063/1674-0068/cjcp2204062
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    DFT Study on the Catalytic Role of $\alpha$-MoC(100) in Methanol Steam Reforming
    Juan Li, Qiang Wan, Guizhu Lin, Sen Lin
    2022, 35(4): 639-646. DOI: 10.1063/1674-0068/cjcp2204075
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    Substituent Effects on the Photocatalytic Properties of a Symmetric Covalent Organic Framework
    Ting-Ting Liu, Xin-Ping Wu, Xue-Qing Gong
    2022, 35(4): 647-654. DOI: 10.1063/1674-0068/cjcp2205088
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    Insights into Syngas to Methanol Conversion on Cr2O3 Oxide from First-Principles-based Microkinetic Simulations
    Wen-De Hu, Jun Ke, Yang-Dong Wang, Chuan-Ming Wang, Wei-Min Yang
    2022, 35(4): 655-663. DOI: 10.1063/1674-0068/cjcp2204066
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    Theoretical Studies on the Reaction Kinetics of Methyl 2-Furoate with Hydroxyl Radical
    Wei He, Jing Lu, Li-dong Zhang, Jing Liu, Li-xia Wei
    2022, 35(4): 664-672. DOI: 10.1063/1674-0068/cjcp2010185
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    Effect of Substitution Site on Two-Photon Absorption and Excited States Properties of Lipid Droplets Detection NAPBr Dyes: a Theoretical Perspective
    Hong-yang Wang, Xiao-fei Wang, Jian-zhong Fan, Yong Zhou
    2022, 35(4): 673-684. DOI: 10.1063/1674-0068/cjcp2007134
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    Mechanistic Investigation on Rhodium(Ⅲ)-Catalyzed Cycloaddition of 2-Vinylphenol Derivatives with Ethyne or Carbon Monoxide by DFT Study
    Xing-hui Zhang, Xi Wu, Hai-xiong Shi
    2022, 35(4): 685-696. DOI: 10.1063/1674-0068/cjcp2009172
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    Characterization and Visible Light Photocatalytic Activity of Cucurbit[n]urils/CdS-MoS2
    Juan-juan Shi, An-ting Zhao, Zhang-mei Peng, Li-xia Yang, Chun-tao Zhou
    2022, 35(4): 697-704. DOI: 10.1063/1674-0068/cjcp2012214
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    Design and Selection of High Energy Materials based on 4,8-Dihydrodifurazano[3,4-b,e]pyrazine
    Xing-hui Jin, Lu-hao Liu, Jian-hua Zhou, Bing-cheng Hu
    2022, 35(4): 705-712. DOI: 10.1063/1674-0068/cjcp2012218
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