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In this paper, the stereodynamics of Li + DF → Li F + D reaction is investigated by the quasi-classical trajectory(QCT)method on the2 A potential energy surface(PES) at a relatively low collision energy of 8.76 kcal/mol. The scalar properties of the title reaction such as reaction probability and cross section are studied with vibrational quantum number of v = 1–6. The product angular distributions P(θr) and P(φr) are presented in the same vibrational level range. Moreover, two polarization-dependent generalized differential cross sections(PDDCSs), i.e., the PDDCS00 and PDDCS22+are calculated as well. These stereodynamical results demonstrate sensitive behaviors to the vibrational quantum numbers.
In this paper, the stereodynamics of Li + DF → Li F + D reaction is investigated by the quasi-classical trajectory (QCT) method on the2 A potential energy surface (PES) at a relatively low collision energy of 8.76 kcal / mol. scalar properties of the title reaction such as reaction probability and cross section are studied with vibrational quantum number of v = 1-6. The product angular distributions P (θr) and P (φr) are presented in the same vibrational level range. Furthermore, Two polarization-dependent generalized differential cross sections (PDDCSs), ie, the PDDCS00 and PDDCS22 + are calculated as well. These stereodynamical results demonstrate sensitive behaviors to the vibrational quantum numbers.