摘要
本文利用正则变分过渡态理论及改进的正则变分过渡态理论研究了激发态氧原子O(~1D)与CS(~1∑^+)分子反应(O(~1D)+CS(~1∑^+)→CO(~1∑^+)S(~1S))的速率常数,在经典变分过渡态理论的基础上进行了量子修正,从而计算了这类用实验不易测量其反应速率的速率常数,所得结果与经典轨线理论相近。
Canonical variational theory and improyed canonical Variatonal theory are used to study the rate constants of reaction between excited state oxygen atoms O(1D) and CS(1Σ+) molecules. On the basis of the classical theory, The quantum effect is considered. The rate constants, which are difficult to obtain by direct measurement, have been calculated. The results obtained approach the classical trajectory theory.
出处
《原子与分子物理学报》
CSCD
北大核心
1993年第2期2708-2715,共8页
Journal of Atomic and Molecular Physics
基金
国家自然科学基金
