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用ＡＭ１方法（采用非限制的Ｈａｒｔｒｅｅ－ＦｏｃｋＵＨＦ计算）研究乙烯与环己－１，３－二烯的热Ｄｉｅｌｓ－Ａｌｄｅｒ反应。结果表明反应是放热的且存在两条竞争的路径；协同反应的活化能以及双自由反应速度控制步骤的活化能分别为１１２．６６７ｋＪ／ｍｏｌ和７８．４０６ｋＪ／ｍｏｌ。
The thermal Diels-Alder reaction of ethylene with cyclohex-1, 3-diene was investigated using the AM1 method (calculated using a non-limiting Hartree-Fock UHF). The results show that the reaction is exothermic and there are two competing routes; the activation energy of the synergistic reaction and the activation energy of the two free reaction rate control steps are 112.667kJ / mol and 78.406kJ / mol, respectively.