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MCSCF STUDIES ON THE IRC AND REACTION RATE CONSTANTS FOR THE DEHYDROGENATION REACTION OF VINYL RADICAL
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作者 De Cai FANG Xiao Yuan FU. Chemistry Department, Beijing Normal University, Beijing 100875 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第5期421-422,共2页
The transition state(TS) and Intrinsic Reaction Coordinate (IRC) for the titled reaction were traced by means of MCSCF/6-31G (210 configurations). The reaction activation energy of this reaction is 140.2KJ/mol. The re... The transition state(TS) and Intrinsic Reaction Coordinate (IRC) for the titled reaction were traced by means of MCSCF/6-31G (210 configurations). The reaction activation energy of this reaction is 140.2KJ/mol. The reaction rate constants of five temperetures were calculated by CVT involving the tunneling effects. 展开更多
关键词 IRC MCSCF STUDIES ON THE IRC AND REACTION RATE CONSTANTS FOR THE DEHYDROGENATION REACTION OF vinyl RADICAL
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RADICAL POLYMERIZATION OF VINYL MONOMER INITIATED BY CERIC ION/TARTARIC ACID
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作者 (Jian Hua DONG Da Hui LIU +1 位作者 Kun Yuan QIU Xin De FANG (Department of Chemistry, Peking University, Beijing 100871) 《Chinese Chemical Letters》 SCIE CAS CSCD 1994年第6期523-526,共4页
The polymerization of acrylamide and acrylonitrile using ceric ion as initiator can be promoted greatly by the tartaric acid. The kinetics of acrylamide polymerization initiated by ceric ion/tartaric acid has been stu... The polymerization of acrylamide and acrylonitrile using ceric ion as initiator can be promoted greatly by the tartaric acid. The kinetics of acrylamide polymerization initiated by ceric ion/tartaric acid has been studied. The presence of the species of tartaric acid in Polyacrylonitrile produced by using ceric ion/tartaric acid as niitiator has been confirmed by FT-IR analysis. 展开更多
关键词 ION RADICAL POLYMERIZATION OF vinyl MONOMER INITIATED BY CERIC ION/TARTARIC ACID
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