摘要
运用分子轨道理论考察了甲酚同分异构体的生物降解特性．计算出最高占据轨道(ＨＯＭＯ)能量的大小,反映了甲酚同分异构体生物降解反应的难易程度,且结论与事实相符合．
We studied the biodegradation properties of cresol s isomers with Molecular Orbit Theory. The calculated values of HOMO energy accorded with the fact that of the three isomers, paracresol could be biodegradated easily while metacresol more difficult.
出处
《环境化学》
CAS
CSCD
北大核心
2001年第2期157-159,共3页
Environmental Chemistry
