Dynamics of the reaction of O with H_2 and its isotopic variants in different rotational excited states  

作　　者：刘玉芳 刘彦磊 梁斌 

机构地区：[1]Department of Physics,Henan Normal University

出　　处：《Chinese Physics B》2012年第9期547-553,共7页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant Nos. 61127012 and 60977063);the Scientific and Technical Innovation and Troop Construction Projects of Henan Province, China (Grant No.124200510013)

摘　　要：Scalar properties and vector correlations of the reactions of O＋H2 →OH＋H, O＋HD→OH＋D, O＋DH→OD＋H, and O＋D2 -＋OD＋D at collision energies of 25 and 34.6 kcal/mole have been studied via the quasi-classical-trajectory （QCT） method based on a BMS1 potential energy surface （PES）. The generalized polarization-dependent differential cross section and the distributions of the dihedral angle at the collision energy of 34.6 kacl/mole are presented. The calculated results indicate that both the reagent rotational angular momentum and the mass factor have a significant influence on the scalar properties and vector correlations of the title reactions.Scalar properties and vector correlations of the reactions of O＋H2 →OH＋H, O＋HD→OH＋D, O＋DH→OD＋H, and O＋D2 -＋OD＋D at collision energies of 25 and 34.6 kcal/mole have been studied via the quasi-classical-trajectory （QCT） method based on a BMS1 potential energy surface （PES）. The generalized polarization-dependent differential cross section and the distributions of the dihedral angle at the collision energy of 34.6 kacl/mole are presented. The calculated results indicate that both the reagent rotational angular momentum and the mass factor have a significant influence on the scalar properties and vector correlations of the title reactions.

关 键 词：quasi-classical-trajectory calculation rotational excited state isotopic effect vector cor-relation 

分 类 号：O562.6[理学—原子与分子物理]