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国家自然科学基金(s61127012)

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Dynamics of the reaction of O with H_2 and its isotopic variants in different rotational excited states
2012年
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.
刘玉芳刘彦磊梁斌
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