摘要
范德华分子势能函数的研究在原子分子领域具有重要的意义。此文应用Ｇａｕｓｓｉａｎ９２计算程序，计算了ＨｅＦ，ＨｅＣｌ和ＨｅＩ三个范德华分子的势能函数值。
The Reaction Dynamics for Ne+H + 2( v )→NeH ++H,Ne+H + 2( v )→Ne+H+H + and NeH ++H→H + 2+Ne have been studied based on the potential energy function of NeH + 2( 2Σ +) 6 . It is shown that the thresholds for the first two reactions are 16 kcal·mol -1 , respectively, at the vibrational ground state of H + 2. The threshold decreases with the vibrational level of H + 2. The last reaction is a reaction without threshold energy.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1996年第3期319-326,共8页
Journal of Atomic and Molecular Physics
