典型文献
Kinetics and Dynamics of the H(2S)+NO(X2Π)→N(4S)+OH(X2Π)Reaction:A Quasi-classical Trajectory Studyt
文献摘要：
A quasi-classical trajectory study of the H(2S)+NO(X2Π)→N(4S)+OH(X2Π)reaction kinetics and dynamics is reported on an accu-rate potential energy surface.The total integral cross sections of the reaction were calculated at the collision energy ranging from 2.00 eV to 2.80 eV.It was found that the total reaction integral cross section increases monotonically with the collision energy.Specifically at the collision en-ergy range of 2.40-2.57 eV,our calculated re-sults are in reasonably good agreement with the experimental data.The calculated thermal rate constants are in fairly good agreement with available experimental results.Through the trajectory analysis at the collision energy of 2.57 eV,it was found that the title reaction is dominated by the indirect trajectories(1.4 times more compared to the direct trajectories),which sheds light on the reaction dynamics of the title reaction in the high collision energy range.
文献关键词：
中图分类号：
作者姓名：
Zhimo Wang;Changjian Xie
作者机构：
Institute of Modern Physics,Shaanxi Key Laboratory for Theoretical Physics Frontiers,Northwest Uni-versity,Xi'an 710127,China
文献出处：
引用格式：
[1]Zhimo Wang;Changjian Xie-.Kinetics and Dynamics of the H(2S)+NO(X2Π)→N(4S)+OH(X2Π)Reaction:A Quasi-classical Trajectory Studyt)[J].化学物理学报（英文版）,2022(01):207-212
A类：
Studyt
B类：
Kinetics,Dynamics,2S,+NO,X2,4S,+OH,Reaction,Quasi,classical,Trajectory,quasi,trajectory,study,reaction,kinetics,dynamics,reported,accu,rate,potential,energy,surface,total,integral,cross,sections,were,calculated,collision,ranging,from,eV,It,was,found,that,increases,monotonically,Specifically,range,our,reasonably,good,agreement,experimental,data,thermal,constants,fairly,available,results,Through,analysis,title,dominated,by,indirect,trajectories,times,more,compared,which,sheds,light,high
AB值：
0.479061
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