摘要
对 732 2系列农药应用MOPAC程序包MA1方法进行量子化学计算 ,讨论它们的电子结构特征和结构活性关系 ,并对此系列进行比较 。
Agriculture drug 7322and its analogs have good curative effect to microparticle disease of do mestic silkworms. In this paper, the semiexperience self consistent field MO(AM1)calculations have been undertaken for 7322 and its analogs. Their active site, way of action and structure-activity relationship have been discussed on the basis of studies of electronic structure and correlative analogs. It is found that there results show a way for composition of agriculture drugs.
出处
《苏州大学学报(自然科学版)》
CAS
2000年第3期72-76,共5页
Journal of Soochow University(Natural Science Edition)
关键词
农药
电子结构
量化计算
agriculture drugs
electronic structure
quantum chemistry calculation