【摘要】 采用一维Ｅｃｋａｒｔ势函数模拟化学反应势垒，研究化学动力学中单分子反应隧道效应，可得到Ｅｃｋａｒｔ垒图形及不同温度下ｋ_ｕｎｉ，Ｅ_ａ及两个反应渠道间存在相互作用时ｋ_{ｕｎｉ（ｉ）}，Ｅ_ａ（ｉ）．计算结果可与实验结果比较。更多还原

【Abstract】 A computer Program has been developed to study tunneling in unimolecular reaction in chemical kinetics by using Eckart potential to stimulate chemical reaction energy barrier.It can give tunneling correction factor under several different temperature and obtain k(E),k∞,E(a∞),kuni,Eα for a special reaction channel and kuni(i),Ea(i) for two coupled-channel. The results can be compared with experimental results.更多还原