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机构地区:[1]国立高雄应用科技大学、化学材料工程系,高雄80782 [2]胜利者基础研究实验室、比勒费尔德D-33602,德国
出 处:《Chinese Journal of Chemical Physics》2010年第2期149-154,I0001,共7页化学物理学报(英文)
摘 要:Quasiclassical trajectory calculation of the title reaction O(^3P)+H2→OH+H at three different scattering energies of 0.5, 0.75, and 1.0 eV on the lowest electronic potential energy surface 1^3A" has been done. Distribution P(θr) of polar angles between the relative velocityk of the reactant and rotational angular momentum vector j' of the product, distribution P(φr) of the azimuthal as well as dihedral angles correlating k-k'-j', 3-dimensional distri-bution, and polarization-dependent differential cross sections (PDDCSs)dependent upon the scattering angle of the product molecule OH between the relative velocity k of the reactant and k' of the product at different scattering energies of 0.5, 0.75, and 1.0 eV are presented and discussed.
关 键 词:Quasiclassical trajectory calculation Stereodynamics Alignment Rotational angular momentum Polarization-dependent differential cross section O+H2 reaction
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