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用半经验分子轨道方法AMI对2-溴-丙酸与2-溴-3-甲基-丁酸的气相热消除反应的微观机理进行了细致的讨论，同时研究了不同取代基对α-溴代酸气相热消除反应的影响．研究结果表明：α一溴代酸气相热消除反应的机理均为2步反应，具有五元环过渡态的第一步过程是整个反应的速控步骤，这与实验工作者的预测一致．计算的取代基效应与有机电子论的预测相一致．
The semi-empirical molecular orbital (AMI) method was used to investigate the micro-mechanism of gas-phase heat elimination of 2-bromo-propionic acid and 2-bromo-3-methylbutyric acid. At the same time, Effect of Acidification on Heat Elimination Reaction. The results show that the mechanism of heat elimination reaction of α-bromo-acid in gas phase is two-step reaction, and the first step with five-membered ring transition state is the quick step of the whole reaction, which is consistent with the prediction by the experimenter. The calculated substituent effect is consistent with the organic electron theory prediction.