In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.
用AM1方法全优化计算了亮氨酸及热分解中间产物、产物分子的几何构型,得能量、级等。
In this paper,the geometries of leucine,its thermolytic intermediate and final products are optimized by AM1 method,respectively.The parameters of the total energy and bond order etc are obtained.
用AM1方法全优化计算了亮氨酸及热分解中间产物、产物分子的几何构型,得能量、级等。
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