利用原子-键电负性均衡方法计算了700多个异构体的硬度,通过与标准生成焓所确定的相对稳定性比较后发现,多数异构体并不遵守最大硬度原理.
The hardnesses of more than 700 isomers were calculated by using atom-bond electronegativity equalization method. By comparing their hardnesses with the relative stabilities derived from their standard enthalpies of formation, it is found that the maximum hardness principle is not obeyed for most of these isomers.