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方法全優(yōu)化計算了亮氨酸及其熱分解中間產(chǎn)物、產(chǎn)物分子的幾何構型,得到其總能量、鍵級等數據。
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