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由多体项展式法导出(NNH)~+分子离子体系的势能函数,用准经典轨线法研究原子-分子离子反应N'+NH~+(0,0)→N+N'H~+(u',j')。结果表明,该反应为热中性有阈能的直接交换反应,阈能约为48kcal/mol。依据对势能面的分析合理地解析了反应机理。
The potential energy function of (NNH) ~ + molecular ion system is deduced from the multi-body expansive method. The quasiclassical trajectory method is used to study the atomic-molecular ion reaction N ’+ NH ~ + (0,0) → N + N’H ~ + ’, J’). The results show that the reaction is a thermo-neutral thresholding direct exchange reaction with a threshold energy of about 48 kcal / mol. Based on the analysis of potential energy surface, the reaction mechanism is reasonably analyzed.