Abstract: In this paper, an empirical method based on two atom-parameter equations is developed. The initial heats of chemisorption for H2 and O2 on transition d-metals are successfully evaluated. Furthermore, the energy of activation of surface chemisorption of oxygen with transition d-metals surfaces are empirically calculated using a bond energy bond order (BEBO) approach. The agreement of the calculated results with the experimental data is satisfactory. The metals are then calssified approximately into three groups, A,B and C,in which the chemisorption properties are different from each other.

摘要： 本文中我们提出了一个以两个原子参数方程为基础的经验方法,并且成功地估计了氢、氧在过渡金属上起始化学吸附热:进而,应用键能键级方法经验地计算了氧同过渡金属表面化学吸附活化能。计算的结果与实验数据符合。 因而将24种金属分为A、B和C三组,三组之间化学吸附特性彼此不同。