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The quasi-classical trajectory(QCT) method is employed to calculate the stereodynamics of the abstraction reactions H/D+HS/DS based on an accurate potential energy surface [L S J,Zhang P Y,Han K L and He G Z 2012 J.Chem.Phys.136 094308].The reaction cross sections of the title reaction are computed,and the vector correlations for different collision energies and different initial vibrational states are presented.The influences of the collision energy and reagent vibration on the product polarization are studied,and the product polarizations of the title reactions are found to be distinctly different,which arises from the different mass factors,collision energies,and reagent vibrational states.
The quasi-classical trajectory (QCT) method is employed to calculate the stereodynamics of the abstraction reactions H / D + HS / DS based on an accurate potential energy surface [L SJ, Zhang PY, Han KL and He GZ 2012 J. Chem. . Phys. 136 094308]. The reaction cross sections of the title reaction are computed, and the vector correlations for different collision energies and different initial vibration states are presented. These influences of the collision energy and reagent vibration on the product polarization are studied, and the product polarizations of the title reactions are found to be distinctly different, which arises from the different mass factors, collision energies, and reagent vibrational states.