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Xian-Biao Zhang,Yu-Fan Zhang,Hang Li,Jie Cui,Song Jiang,Ben Yang,Yang Zhang,Yao Zhang,Zhen-Chao Dong(Hefei National Research Center for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information&Quantum Physics,University of Science and Technology of China,Hefei 230026,China).Fast Fabrication and Judgement of Tip-Enhanced Raman Spectroscopy-Active Tips[J].化学物理学报(英文版),2022,第5期
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何维1,卢靖2,张李东3,刘晶4,卫立夏2(广西大学化学化工院;广西大学机械工程学院;中国科学技术大学火灾科学国家重点实验室;华中科技大学煤燃烧国家重点实验室).2-糠酸甲酯与羟基反应动力学的理论研究[J].化学物理学报,2022,第4期
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党舒轩1,刘寒轩1,班涛1,高新1,黄正清1,杨东元2,常春然1,3(西安交通大学化学工程与技术学院陕西省能源化工过程强化重点实验室;陕西延长石油(集团)有限责任公司;榆林学院化学与化工学院陕西省低变质煤清洁利用重点实验室).Zn-Y/BEA上乙醇一步法制1,3-丁二烯的反应机理及优异催化剂筛选[J].化学物理学报,2022,第4期
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张兴辉1,吴熙2,师海雄1(兰州文理学院化工学院;兰州文理学院外语学院).铑(Ⅲ)催化2-乙烯基苯酚衍生物与乙炔或一氧化碳的环加成反应机理研究[J].化学物理学报,2022,第4期
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施娟娟,赵安婷,彭章美,杨丽霞,周纯滔(贵州大学化学与化工学院).Cucurbit[n]urils/CdS-MoS2的表征及可见光催化性能[J].化学物理学报,2022,第4期
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刘婷婷,吴新平,龚学庆(华东理工大学化学与分子工程学院).取代基效应对对称共价有机框架光催化性质的影响[J].化学物理学报,2022,第4期
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Chenz Chen,Jian Minzhen,Liu Jinxun,Li Weixue.Understanding the E ect of the Exchange-Correlation Functionals on Methane and Ethane Formation over Ruthenium Catalystsy[J].化学物理学报,2022,第4期
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王泓洋1,王晓菲1,范建忠1,2,周勇1(山东师范大学物理与电子科学学院;华南理工大学广东省分子聚集发光重点实验室).取代效应对脂滴检测NAPBr染料分子的双光子吸收和激发态性质影响的理论探究[J].化学物理学报,2022,第4期
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Ting-Ting Liu,Xin-Ping Wu,Xue-Qing Gong(Key Laboratory for Advanced Materials and Joint International Research Laboratory for Precision Chem-istry and Molecular Engineering,Feringa Nobel Prize Scientist Joint Research Center,Centre for Com-putational Chemistry and Research Institute of Industrial Catalysis,School of Chemistry and Molecular Engineering,East China University of Science and Technology,Shanghai 200237,China).Substituent Effects on the Photocatalytic Properties of a Symmetric Covalent Organic Framework[J].化学物理学报(英文版),2022,第4期
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Xing-hui Jin,Lu-hao Liu,Jian-hua Zhou,Bing-cheng Hu(Key Laboratory of Fine Chemicals in Universities of Shandong,School of Chemistry and Chemical Engineering,Qilu University of Technology(Shandong Academy of Sciences),Ji'nan 250353,China;School of Chemical Engineering,Nanjing University of Science and Technology,Nanjing 210094,China).Design and Selection of High Energy Materials based on 4,8-Dihydrodifurazano[3,4-b,e] pyrazine[J].化学物理学报(英文版),2022,第4期
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Zhang Xinghui,Wu Xi,Shi Haixiong.Mechanistic Investigation on Rhodium(III)-Catalyzed Cycloaddition of 2-Vinylphenol Derivatives with Ethyne or Carbon Monoxide by DFT Study[J].化学物理学报,2022,第4期
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文启星1,许昊翔1,南洋2,解元2,程道建1(北京化工大学有机无机复合材料国家重点实验室北京能源环境催化重点实验室;石油化工研究院兰州石油化工研究中心).用于乙烯环氧化反应的CuCs掺杂银基催化剂设计[J].Chinese Journal of Chemical Physics,2022,第4期
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Chen Chen,Minzhen Jian,Jin-Xun Liu,Wei-Xue Li(Department of Chemical Physics,School of Chemistry and Materials Science,University of Science and Technology of China,Hefei 230026,China).Understanding the Effect of the Exchange-Correlation Functionals on Methane and Ethane Formation over Ruthenium Catalysts[J].化学物理学报(英文版),2022,第4期
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Liu Tingting,Wu Xinping,Gong Xueqing.Substituent E ects on the Photocatalytic Properties of a Symmetric Covalent Organic Frameworky[J].化学物理学报,2022,第4期
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金兴辉1,刘鲁浩1,周建华1,胡炳成2(齐鲁工业大学化学与化工学院山东高校精细化工重点实验室;南京理工大学化工学院).基于4,8-二氢二呋咱[3,4-b,e]吡嗪高能材料的设计与筛选[J].化学物理学报,2022,第4期
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Qi-xing Wen,Haoxiang Xu,Yang Nan,Yuan Xie,Daojian Cheng(State Key Laboratory of Organic-Inorganic Composites,Beijing Key Laboratory of Energy Environ-mental Catalysis,Beijing University of Chemical Technology,Beijing 100029,China;Lanzhou Petrochemical Research Center,Petrochemical Research Institute,PetroChina,LanZhou 730060,China).Design of CuCs-doped Ag-based Catalyst for Ethylene Epoxidation[J].化学物理学报(英文版),2022,第4期
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Guang-Jie Xia,Yang-Gang Wang(Department of Chemistry and Guangdong Provincial Key Laboratory of Catalysis,Southern University of Science and Technology,Shenzhen 518055,China).Dynamic Simulation on Surface Hydration and Dehydration of Monoclinic Zirconia[J].化学物理学报(英文版),2022,第4期
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Xie Jiaxuan,Liu Jian,Yang Bo.Dehydroxylation of Glycerol on Pt Surfaces:Ab Initio Molecular Dynamics Studyy[J].化学物理学报,2022,第4期
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Li Juan,Wan Qiang,Lin Guizhu,Lin Sen.DFT Study on the Catalytic Role of alpha-MoC(100) in Methanol Steam Reformingy[J].化学物理学报,2022,第4期
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陈晨,简敏珍,刘进勋,李微雪(中国科学技术大学化学物理系).交换关联泛函近似方法对Ru催化剂上甲烷和乙烷形成的影响[J].化学物理学报,2022,第4期
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Dang Shuxuan,Liu Hanxuan,Ban Tao,Gao Xin,Huang Zhengqing,Yang Dongyuan,Chang Chunran.Reaction Mechanism of One-Step Conversion of Ethanol to 1,3-Butadiene over Zn-Y/BEA and Superior Catalysts Screeningy[J].化学物理学报,2022,第4期
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李娟1,万强1,林桂珠2,林森1(福州大学化学学院能源与环境光催所国家重点实验室;福建船政交通职业学院).密度泛函理论研究α-MoC(100)在甲醇水蒸汽重整中的催化作用[J].化学物理学报,2022,第4期
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Jiaxuan Xie,Jian Liu,Bo Yang(School of Physical Science and Technology,ShanghaiTech University,Shanghai 201210,China).Dehydroxylation of Glycerol on Pt Surfaces:Ab Initio Molecular Dynamics Study[J].化学物理学报(英文版),2022,第4期
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Wei He,Jing Lu,Li-dong Zhang,Jing Liu,Li-xia Wei(College of Chemistry and Chemical Engineering,Guangxi University,Nanning 530004,China;College of Mechanical Engineering,Guangxi University,Nanning 530004,China;State Key Laboratory of Fire Science,University of Science and Technology of China,Hefei 230026,China;State Key Laboratory of Coal Combustion,School of Energy and Power Engineering,Huazhong University of Science and Technology,Wuhan 430074,China).Theoretical Studies on the Reaction Kinetics of Methyl 2-Furoate with Hydroxyl Radical[J].化学物理学报(英文版),2022,第4期
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Xing-hui Zhang,Xi Wu,Hai-xiong Shi(College of Chemical Engineering,Lanzhou University of Arts and Science,Lanzhou 730010,China;School of Foreign Languages,Lanzhou University of Arts and Science,Lanzhou 730010,China).Mechanistic Investigation on Rhodium(Ⅲ)-Catalyzed Cycloaddition of 2-Vinylphenol Derivatives with Ethyne or Carbon Monoxide by DFT Study[J].化学物理学报(英文版),2022,第4期
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Juan-juan Shi,An-ting Zhao,Zhang-mei Peng,Li-xia Yang,Chun-tao Zhou(College of Chemistry and Chemical Engineering,Guizhou University,Guiyang 550025,China).Characterization and Visible Light Photocatalytic Activity of Cucurbit[n]urils/CdS-MoS2[J].化学物理学报(英文版),2022,第4期
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胡文德,柯俊,王仰东,王传明,杨为民(中国石油化工股份有限公司上海石油化工研究院绿色化工与工业催化国家重点实验室).Cr2O3催化合成气转化至甲醇的微观动力学研究[J].化学物理学报,2022,第4期
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Shu-Xuan Dang,Han-Xuan Liu,Tao Ban,Xin Gao,Zheng-Qing Huang,Dong-Yuan Yang,Chun-Ran Chang(Shaanxi Key Laboratory of Energy Chemical Process Intensification,School of Chemical Engineering and Technology,Xi'an Jiaotong University,Xi'an 710049,China;Shaanxi Yanchang Petroleum(Group)Corp.Ltd.,Xi'an 710065,China;Shaanxi Key Laboratory of Energy Chemical Process Intensification,School of Chemical Engineering and Technology,Xi'an Jiaotong University,Xi'an 710049,China;Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization,School of Chemistry and Chemical Engineering,Yulin University,Yulin 719000,China).Reaction Mechanism of One-Step Conversion of Ethanol to 1,3-Butadiene over Zn-Y/BEA and Superior Catalysts Screening[J].化学物理学报(英文版),2022,第4期
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