Theoretical investigation of the influence of collision energy on the stereodynamics of Li+DF→LiF+D reaction

28th International Conference on Photonic, Electronic and Atomic Collisions

Li, Shujuan^1 ; Zhang, Yingying^1 ; Shi, Ying^1

Institute of Atomic and Molecular Physics, Jilin University, Changchun

130012, China^1

关键词: Collision energies;    Quasiclassical trajectories;    Stereodynamics;    Theoretical investigations;    Vector correlations;    Vector properties;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/488/10/102021/pdf
DOI  :  10.1088/1742-6596/488/10/102021

来源: IOP

【 摘 要 】

Calculations on the stereodynamics of the title reaction have been performed using the quasi-classical trajectory (QCT) method on the Aguado-Paniagua2-potential energy surface (AP2-PES) developed by Aguado et al. (J. Chem. Phys. 106 1013 (1997)) [1]. The product angular distributions which describe the vector correlations, P(θr), P(φr) and P(θr,φr) are presented. The calculated results indicate that the vector properties are sensitive to the change of the collision energy.