A simple approximate equation has been proposed in this paper. It can be used to estimate the bond dissociation energy of the covalent bond in conjugated systems from the π-bond order computed through the HMO methed. 本文提出一个由HMO法计算π键级的估算共轭体系中键离解能的简易近似公式。
This effect enlarged the difference of bond energy of covalent bond which formed by the O atoms near the dopant and resulted in non-uniform stress of these O atoms. 在这种效应的作用下,杂质周围的部分氧原子与其周围原子形成的共价键的键能大小落差较大,导致该氧原子受力不均匀。