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《JOURNAL OF ANSHAN INSTITUTE OF IRON AND STEEL TECHNOLOGY》 1995-03
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Theory Study on the Activition Energy and Mechanism of Olefins'Double Bond Isomerization

Jin Guishun(Division of Basic Courses)  
Modified CNDO/2 calculations were performed for the reaction mechanism of photocatalyzed double bond isomerization of olefins with pentacarbonyl iron.The theoretical investigation was based on the calculation results of reaction potential surface.activition energy and transition state.From the calculation results,it is concluded that 1.3-hydrogen shift mechanism is available.
【CateGory Index】: O621.253
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【Citations】
Chinese Journal Full-text Database 4 Hits
1 Chen Shi-yuan and Deng Li-qun (Department of Chemistry, Zhejiang University, Hangzhou);THEORETICAL INVESTIGATION ON THE MECHANISM OF REPPE'S SYNTHESIS[J];催化学报;1987-02
2 Lu Xingliang;Yu Xiong;Xie Liangyi Department of Chemistry,Fudan University,Shanghai;STUDY ON ISOMERIZATION OF ALKENES[J];有机化学;1985-06
3 Lin Jing-zhi, Huang Zhi-lan and Zhou Wang-yue (Lanzhou Institute of Chemical Physics, Academia Sinica);QUANTUM CHEMICAL CALCULATION OF THE COMPLEXES OF n-BUTENE ADSORBED ON Fe-O LATTICE BY CNDO/2 METHOD[J];催化学报;1984-04
4 Zheng Shijun and Fu Xiaoyuan(Depatment of Chemistry, Beijing Normal University);INVESTIGATION OF THE ELECTRONIC STRUCTURE AND CATALYTIC ACTIVITY OF HFc_3(CO)_11- BY CNDO/2 METHOD[J];催化学报;1982-01
【Co-citations】
Chinese Journal Full-text Database 3 Hits
1 Jin Gueshun; Ban Fuqiang; Dai Daiqing(Anshan Institute of Iron and Steel) (Harbin Normal University);THEORETICAL STUDY OF REACTION MECHANISM OF PENTACARBONYL IRON PHOTOCARBONYL ISOMERIZATION OF ALLYL BENZENE[J];哈尔滨师范大学自然科学学报;1996-04
2 Jin Guishun(Division of Basic Courses);Theory Study on the Activition Energy and Mechanism of Olefins'Double Bond Isomerization[J];鞍山钢铁学院学报;1995-03
3 Cu Qishi, Zhong Shijun, Pen Zhouren;A New Method for Calculation of the Overlap Integration[J];兰州大学学报;1984-S2
【Secondary Citations】
Chinese Journal Full-text Database 2 Hits
1 Zhou Wargyue, Chen Xiancheng, Li Qingyi, Liu Chongya, Zhou Slixiung, Xue Ji zhen and Lu Ji gzhi(Lanzhou Institute of Chemical Physics, Academia Sinica);REACTION MECHANISM OF OXIDATIVE DEHYDROGENATION OF BUTENES ON FERRITE CATALYSTS[J];催化学报;1983-03
2 Zhou Wangyue(Lanzhou Institute of Chemical Physics, Academia Sinica);A STUDY ON THE KINETICS OF n-BUTENE CONVERSION OVER Sn-P-Li CATALYST[J];催化学报;1980-03
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