The favourite adsorption site of ethylene on the Ni (110) surface at high and low coverages was investigated by theoretical calculation. 用理论计算的方法研究了不同覆盖度的乙烯在Ni(110 )表面吸附的位置 .
The adsorption site strength of ammonia, oxygen and propylene in the fresh catalyst is weaker,and the adsorption site density is greater, so its catalytic activity is better. 新鲜催化剂对NH3、O2和丙烯的吸附强度较弱，但吸附中心密度较大，因此性能较好；
The doping behavior (adsorption behavior) of lithium cation (Li++) on the surface of polyacene semiconductor was investigated by using quantum chemistry MNDO, CNDO/2 methods. The stable adsorption site of Li++ over benzene ring was found. 采用量子化学MNDO、CNDO/ 2方法
There are three kinds of adsorption sites on the Ni (410) surface, i.e. B site on the step edge and pseudo 4-fold hollow (H1 and H2) site and long-bridge (LB) site at the bottom of the step. 在Ni(410)面上,氢原子有三种类型的吸附位即台阶一边棱位B、台面上的赝式四重洞位H1和H2以及台阶底部棱上的LB位;
The favorite adsorption sites of ethylene (C_2H_4) and acetylide (CCH) on the Ni(110) surface are investigated by the theoretical calculation of the pseudo_potential plane_wave method. 采用平面波赝势方法