摘要
用ＡＭ１ 方法全优化计算了半胱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，通过对计算结果如键级、定域轨道能以及总能量与键长ＲＳ－ Ｃ、ＲＣ－ Ｃ变化关系的分析。
In this paper,the geometrical configuration of cysteine ,its thermolyic intermediate and final products have been optimized by AM1 methods,respectively On analyzing the calculation results such as bond orders and localized orbital energies,we suggest a thermolytic dissociation mechanism of cysteine
出处
《三峡大学学报（人文社会科学版）》
1999年第5期52-54,共3页
Journal of China Three Gorges University(Humanities & Social Sciences)
