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用ＡＭ１方法全优化计算了缬氨酸及其热分解中间产物、产物分子的几何构型， 得到其总能量、键级等数据。通过对键级、定域轨道能以及总能量与键长Ｒｃ－ ｃ、Ｒｃ－ ｃ、Ｒｃ－ ｏ 变化关系的分析， 提出了缬氨酸热分解反应的机理。
AM1 method was used to optimize the geometry of valine and its thermal decomposition intermediates and products, and the total energy, bond order and other data were obtained. The mechanism of the valine pyrolysis reaction was proposed by analyzing the relationship between bond level, localized orbital energy, total energy and bond length Rc-c, Rc-c and Rc-o.