Dynamics of reaction of O with H2 and its isotopic variants in different rotational excited states |
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Authors: | Liu Yu-Fang Liu Yan-Lei Liang Bin |
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Institution: | Department of Physics, Henan Normal University, Xinxiang 453007, China |
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Abstract: | Scalar properties and vector correlations of the reactions 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 quasi-classical-trajectory (QCT)
method based on a BMS1 potential energy surface (PES). 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 reagent rotational angular momentum and the mass factor have a significant influence on the scalar
properties and vector correlations of the title reactions. |
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Keywords: | quasi-classical-trajectory calculation rotational excited state isotopic effect vector correlation |
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