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Quasi-Classical Trajectory Study on O++DH(v=0,j=0)→OD++H Reaction at Different Collision Energy

碰撞能对O++DH(v=0,j=0)→OD++H的准经典轨续
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摘要 The quasi-classical trajectory calculations O++DH(v=0,j=0)→OD++H reactions on the RODRIGO potential energy surface have been carried out to study the isotope effect on stereo-dynamics at the collision energies of 1.0, 1.5, 2.0, and 2.5 eV. The distributions of dihedral angle P(~r) and the distributions of P(Or) are discussed. Furthermore, the angular distributions of the product rotational vectors in the form of polar plot in θr and φr are calculated. The differential cross section shows interesting phenomenon that the reaction is dominated by the direct reaction mechanism. Reaction probability and reaction cross section are also calculated. The calculations indicate that the stereo-dynamics properties of the title reactions are sensitive to the collision energy.
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第5期521-526,621,共7页 化学物理学报(英文)
关键词 Stereo-dynamics Quasi-classical trajectory method Polarization-dependentdifferential cross-section 立体动力学 准经典轨线方法 极化微分反应截面
分类号 O [理学]
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