【摘 要】
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Using the quasi-classical trajectory (QCT) method, the product polarization at the collision energy of 46 kcal/mol is investigated for the reactions of F+LiH (v
【机 构】
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School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024“,”De
论文部分内容阅读
Using the quasi-classical trajectory (QCT) method, the product polarization at the collision energy of 46 kcal/mol is investigated for the reactions of F+LiH (v = 0, j =0)→LiF+H and F+LiD (v = 0, j =0)→LiF+D on the 2A ground state potential energy surface (PES)[J.Chem.Phys.106(1997)1013).The distribution of P(θr), which represents the K and J correlation, the dihedral angle distribution of K-K-J P(φr), the angular distribution P(θr,φr) and the four PDDCSs[(2π/σ)(dσ00/dωt), (2πr/σ)(dσ20/dωt), (2π/σ)(dσ22+/dωt), (2π/σ)(dσ21-/dωt)] are presented and discussed.In addition, isotope effects are investigated.The results indicate that at the collision energy of 46 kcal/mol, with isotopic mass substitution, the orientation degree of LiF perpendicular to the scattering degree becomes stronger while the polarization degree of LiF perpendicular to K keeps almost changeless.In addition, the angular distribution of LiF strongly prefers forward scattering.
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