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用ＰＭ３方法研究了Ｎ乙酰基丁内酰胺热分解反应，计算所得活化能为１７９．４７９Ｊ·ｍｏｌ－１，与实验值可比．反应途径用福井提出的内禀反应坐标（ＩＲＣ）理论进行了剖析
The PM3 method was used to study the thermal decomposition of N-acetylbutyrolactam. The calculated activation energy was 179.479 J · mol-1, which was comparable with the experimental data. The reaction pathway was analyzed using the intrinsic reaction coordinate (IRC) theory proposed by Fukui