摘要
本文报道了一个可用于有机污染物生物降解途径理论预测的软件包,应用CN-DO/2方法计算分子的结构参数.经过解析结构参数给出有机污染物理论上可能遵循的生物降解途径.
A microcomputer software package which is useful for study on theoretical prediction for biodegradation pathway of organic pollutants has been reported. It can be used to calculate structure parameter of organic compounds by CNDO/2 method and to analyze it, then the probable biodegradation pathway of organic compounds is predicted.
出处
《环境化学》
CAS
CSCD
北大核心
1997年第5期399-404,共6页
Environmental Chemistry
基金
国家自然科学基金资助课题No:29577279
关键词
生物降解
软件包
有机污染物
biodegradation pathway, theoretical prediction, software package.
