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作品数:1132被引量:1374H指数:10
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相关领域:理学更多>>
相关作者:滕怀龙祝诗发陈自立姚小泉石先莹更多>>
相关机构:中国科学院南开大学郑州大学武汉大学更多>>
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相关基金:国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家教育部博士点基金更多>>
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Styrene epoxidation catalyzed by polyoxometalate/quaternary ammonium phase transfer catalysts: The effect of cation size and catalyst deactivation mechanism
《Chinese Journal of Chemical Engineering》2023年第3期192-201,共10页Qiongna Xiao Yuyan Jiang Weiqiang Yuan Jingjing Chen Haohong Li Huidong Zheng 
financial supported by the National Natural Science Foundation of China (22078065);Key Program of Qingyuan Innovation Laboratory (00221001);Quanzhou City Science & Technology Program of China (2020C008R)。
Catalytic epoxidation of alkenes is an important type of organic reaction in chemical industry,and the deep insight into catalyst deactivation will help to develop new epoxidation process.In this work,series of quater...
关键词:Phosphotungstic acid phase-transfer CATALYST Styrene epoxidation Catalyst deactivation mechanism Cation size effect 
Study on the mechanism of hydrodesulfurization of tetrahydrothiophene catalyzed by nickel phosphide被引量:1
《Petroleum Science》2022年第3期1390-1400,共11页Chuan-Tao Zhu Li-Qiang Zhang Mei-Ling Zhou Xin-Wei Wang Zheng-Da Yang Ri-Yi Lin De-Wei Yang 
the financial support provided by the National Science and Technology Major Project of the Ministry of Science and Technology of China(2016ZX05012002-005);National Natural Science Foundation of China(No.51874333);Natural Science Foundation of Shandong Province,China(No.ZR2017MEE030)
Hydrodesulfurization(HDS)reaction can significantly reduce the viscosity and sulfur content of heavy oil,while the HDS reaction mechanism of tetrahydrothiophene as the main sulfide in heavy oil is still unclear.The HD...
关键词:TETRAHYDROTHIOPHENE Nickel phosphide HYDRODESULFURIZATION Hydrogen sulfide DFT 
Mechanism of the Ir/Pd catalyzed photocarboxylation of aryl halides
《Chinese Chemical Letters》2021年第4期1403-1406,共4页Ying Lv Bing Wang Haizhu Yu 
the financial support from the National Natural Science Foundation of China(Nos.21672001,51961135104);the technical support of high-performance computing platform of Anhui University。
The recent Ir/Pd co-catalyzed photo carboxylation of aromatic halides with CO_(2) has shown high efficiency and excellent functional group tolerance for preparing aromatic carboxylic acids and esters.With the aid of d...
关键词:CARBOXYLATION PD-CATALYSIS DFT Charge state MECHANISM 
Ni catalyzed ethylene copolymerization with polar monomers被引量:4
《Science China Chemistry》2019年第6期653-654,共2页Igor E.Soshnikov Changle Chen Konstantin P.Bryliakov 
Introduction of polar comonomers into polyethylene is highly challenging,paving the way to tuning the copolymers'mechanical properties,adhesion/compatibility,and biodegradability.Polar-group tolerant single-site palla...
关键词:INTRODUCTION POLYETHYLENE MECHANISM 
Mechanism for acetic acid-catalyzed ester aminolysis
《Chinese Chemical Letters》2018年第8期1233-1236,共4页Chang Xiao Song-Lin Zhang 
supported by the National Natural Science Foundation of China (No. 21472068);Financial support from MOE & SAFEA for the 111 Project (No. B13025)is also gratefully acknowledged
This paper reports a computational study elucidating reaction mechanism for amide bond formation from esters and amines catalyzed by acetic acid. Two optional mechanisms(namely, classic stepwise and concerted acyl su...
关键词:Amide bond formation AMINOLYSIS MECHANISM ESTER Concerted acyl substitution Acid catalyzed amidation 
Study on the Mechanism of Heterogeneous Catalysis (2) <br>—The Relative Catalytic Activities of Fe, Co, Ni, Cu, Ag and SiO2 in the Carbon Catalyzed Gasification Reaction
《Journal of Materials Science and Chemical Engineering》2018年第4期191-201,共11页Jiamin Jin Weifang Bao 
This is a validation article. The experimental results such as the relative catalytic activities of Fe, Co, Ni, Cu, Ag and SiO2 poisoning in the carbothermic reduction iron oxide show that the Electron Cyclic Donate-A...
关键词:Heterogeneous CATALYSIS MECHANISM Reduction ECDAM or EODRM 
Advances in theoretical study on transition-metal-catalyzed C-H activation被引量:1
《Science China Chemistry》2016年第11期1448-1466,共19页Yuan-Ye Jiang Xiaoping Man Siwei Bi 
supported by the National Natural Science Foundation of China (21473100, 21403123);the Project of Shandong Province Higher Educational Science and Technology Program (J14LC17);the Opening Foundation of Shandong Provincial Key Laboratory of Detection Technology for Tumor Makers (KLDTTM2015-9);the Doctoral Start-Up Scientific Research Foundation of Qufu Normal University (BSQD2012018)
Transition-metal-catalyzed C–H activation represents one of most attractive research fields in modern organic chemistry while theoretical studies have become a popular and effective tool for elucidating mechanism now...
关键词:transition metal C–H activation MECHANISM DFT 
Theoretical Studies on Mechanism and Rate Constant of Gas Phase Hydrolysis of Glyoxal Catalyzed by Sulfuric Acid
《Chinese Journal of Chemical Physics》2016年第3期335-343,I0001,I0002,共11页黄明强 蔡顺有 廖颖敏 赵卫雄 胡长进 王振亚 张为俊 
The gas phase hydration of glyoxal (HCOCHO) in the presence of sulfuric acid (H2SO4) were studied by the high-level quantum chemical calculations with M06-2X and CCSD(T) theoretical methods and the conventional ...
关键词:GLYOXAL HYDROLYSIS Sulfuric acid Acid-catalyzed mechanism 
The reductive mechanism of nitrobenzene catalyzed by nine charcoals in sulfides solution
《Science China Chemistry》2012年第10期2217-2223,共7页YU XiaoDong GONG WenWen LIU XinHui BAO HuaYing 
supported by the Major State Basic Research Development Program (2009CB421605);National Natural Science Foundation of China (20977009);National Water Pollution and Management Technology Project of China (2009ZX07209-008)
Due to the different sources of charcoals, there are significant differences in their properties. In order to study the catalytic effect of different charcoals to nitrobenzene (NB), we selected nine charcoal-sources t...
关键词:charcoal NITROBENZENE sulfides CATALYSIS reductive mechanism 
DFT Investigation on the Mechanism of Pd(0) Catalyzed Sonogashira Coupling Reaction
《Chinese Journal of Structural Chemistry》2011年第9期1289-1297,共9页陈丽萍 陈慧萍 
Supported by the NNSFC (20674034);Natural Science Youth Foundation of Jiangxi Province (No. 2010GQH0028)
Based on DFT calculations, the catalytic mechanism of palladium(0) atom, commonly considered as the catalytic center for Sonogashira cross-coupling reactions, has been analyzed in this study. In the cross-coupling r...
关键词:Sonogashira reaction mechanism study DFT calculations palladium atom 
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