典型文献
State-to-state integral cross sections and rate constants for the N+(3P)+HD→NH+/ND++D/H reaction:Accurate quantum dynamics studies
文献摘要：
The reactive collisions of nitrogen ion with hydrogen and its isotopic variations have great significance in the field of astrophysics.Herein,the state-to-state quantum time-dependent wave packet calculations of N+(3P)+HD → NH+/ND++D/H reaction are carried out based on the recently developed potential energy surface[Phys.Chem.Chem.Phys.21 22203(2019)].The integral cross sections(ICSs)and rate coefficients of both channels are precisely determined at the state-to-state level.The results of total ICSs and rate coefficients present a dramatic preference on the ND+product over the NH+product,conforming to the long-lived complex-forming mechanism.Product state-resolved ICSs indicate that both the product molecules are difficult to excite to higher vibrational states,and the ND+product has a hotter rotational state distribution.Moreover,the integral cross sections and rate coefficients are precisely determined at the state-to-state level and insights are provided about the differences between the two channels.The present results would provide an important reference for the further experimental studies at the finer level for this interstellar chemical reaction.The datasets presented in this paper,including the ICSs and rate coefficients of the two products for the title reaction,are openly available at .
文献关键词：
中图分类号：
作者姓名：
Hanghang Chen;Zijiang Yang;Maodu Chen
作者机构：
Key Laboratory of Materials Modification by Laser,Electron,and Ion Beams(Ministry of Education),School of Physics,Dalian University of Technology,Dalian 116024,China
文献出处：
引用格式：
[1]Hanghang Chen;Zijiang Yang;Maodu Chen-.State-to-state integral cross sections and rate constants for the N+(3P)+HD→NH+/ND++D/H reaction:Accurate quantum dynamics studies)[J].中国物理B（英文版）,2022(09):119-125
A类：
+HD,ND++D,ICSs,ND+product,NH+product,openly
B类：
State,integral,cross,sections,constants,N+,3P,reaction,Accurate,quantum,dynamics,studies,reactive,collisions,nitrogen,hydrogen,its,isotopic,variations,have,great,significance,field,astrophysics,Herein,dependent,wave,packet,calculations,are,carried,recently,developed,potential,energy,surface,Phys,Chem,coefficients,both,channels,precisely,determined,level,results,total,dramatic,preference,conforming,long,lived,complex,mechanism,Product,resolved,indicate,that,molecules,difficult,excite,higher,vibrational,states,has,hotter,rotational,distribution,Moreover,insights,provided,about,differences,between,two,would,important,further,experimental,finer,this,interstellar,chemical,datasets,presented,paper,including,products,title,available
AB值：
0.457417
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