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用MNDO－PM3方法对沙蚕毒系化合物二氢沙蚕毒、硫氰酸酯、巴丹、杀虫单及其异构体的几何构型进行了全自由度优化，并计算了其电子结构，讨论了生物活性与几何构型和电子结构的关系，
The MNDO-PM3 method was used to optimize the geometrical configurations of N. litura, thiocyanates, batanes, insecticides and their isomers, and the electronic structures were calculated , Discusses the relationship between biological activity and geometry and electronic structure,