摘要
对４种β－单环内酰胺进行了理论研究，运用量子化学ＲＨＦ／ＰＭ３法对４种β－单环内酰胺进行了结构优化和振动分析，根据计算所得的结果，分析了不同化合物的总能量、生成热、电子能量与活性及它们之间的关系，讨论了β－单环内酰胺的活性在分子化学键上的表征．
This paper gives a theoretical study on four β momocycliclactams. Their geometry and viberation analyses have been studied by RHF/PM3 method of quantum chemistry. The total energy, the heat of formation, electronic energy and the activity have been calculated, and the relationship between them and activity have been analysed. The activity of different β momocycliclactams have been shown by chemical bonds.
出处
《四川师范大学学报（自然科学版）》
CAS
CSCD
1998年第6期648-650,共3页
Journal of Sichuan Normal University（Natural Science）
基金
四川省青年科学基金
