论文部分内容阅读
本文用ＡＳＥＤ－ＭＯ法研究了Ｏ，Ｏ′－２，２′－联苯基，Ｓ－苄基二硫代磷酸酯单个分子的构象，得到４种低能构象。分析了常温下４种构象的分布，稳定构象之间的转化以及与晶态分子构象之间的关系．
In this paper, the ASED-MO method was used to study the conformations of single molecules of O, O’-2,2’-biphenyl and S-benzyldithiophosphate. Four kinds of low energy conformations were obtained. The distribution of the four conformations at normal temperature, the transformation between stable conformations and the relationship with the conformation of crystalline molecules were analyzed.