论文部分内容阅读
自由基分解反应R′→R+M的活化能可按如下经验公式快速估算: E_(d,R)=E_d~o-V(R)式中E_d~o是一个只和产物分子M的类型有关的常数,V(R)是原子团变更能。本方法的误差为±1~2 kcal/mol。
The activation energy of the radical decomposition reaction R ’→ R + M can be quickly estimated by the following empirical formula: E_ (d, R) = E_d ~ oV (R) where E_d ~ o is only related to the type of product molecule M Constant, V (R) is the atomic energy change. The error of this method is ± 1 ~ 2 kcal / mol.