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用MINDO／3方法研究了乙酰丙酮的热分解反应，研究结果表明，醇式构型比酮式构型稳定；具有最低能垒的两个反应通道──反应（1）和（2）的活化位垒分别为210．250和225．501kJ·mol－1．
The thermal decomposition reaction of acetylacetone with MINDO / 3 was studied. The results show that the alcoholic configuration is more stable than the keto-type configuration; the two reaction channels with the lowest energy barrier ─ the activation of reactions (1) and (2) Barriers were 210.250 and 225.501 kJ · mol-1 respectively.