【摘要】 把量子数和价电子能级值引入原子点价,重新定义原子点价为iδP,并用iδP构建分子结构参数P.P与56种ABn型无机物的总键能ΔE呈现高度的相关性,其相关系数为0.988 2.与其他结构参数相比,本参数的计算更为准确.更多还原

【Abstract】 On basis of the introduction of quantum number and energy level value of valence electron,an approved atomic valence named δ^P_i is suggested,and a novel structural parameter P of the molecule is put forward.P has highly correlativity for total bond energies of AB_n molecules.Their linear regression equation is proposed as follows:ΔE=-334.368 7+428.403 8 P,r=0.988 2.Compared with other structure parameter,the novel structure parameter has a higher calculation accuracy.更多还原