摘要
在对一些共价化合物分子的键能进行IEHM量子化学计算的基础上,对共价物质的稳定性,酸性,化学反应速度,取代定位规律及超共轭效应等化学性质与键能的关系进行了探讨。
In this paper, the bond energy of some covalent molecules has been calculated with IEHM. The relations of the bond energy and chemical properties such as stability, acidity, chemical reaction rate, substituted orientation law and hyper - conjugation effect are further studied.
出处
《有机化学》
SCIE
CAS
CSCD
北大核心
1999年第6期610-615,共6页
Chinese Journal of Organic Chemistry
关键词
键能
共价化合物
化学性质
表征
bond energy E AB , covalent molecules , chemical property
