摘要
以最新的势能面为基础,首先用量子方法和准经典法计算了反应S+HH在不同碰撞能下的反应截面,这2种方法的计算结果符合的很好,证明了计算结果的可靠性.然后计算了不同碰撞能下反应S+HH/HD/DH/DD的激发函数、产物散射方向、转动角动量定向和取向等动力学性质.结果表明碰撞能对反应S+HH有促进作用,大的质量因子会阻碍反应的发生,碰撞能和质量因子对反应的矢量性质均有明显的影响.
Based on the newest PES,this article calculates the excited function by the QM and QCT method. A good agreement between the two calculated results was achieved, which shows the reliability of our calculation and discussion. Then the dynamics of the title reaction such as exited function, scattering direction, the orientation and polarization of the rotational angular momentum are calculated. The results indicates that the collision energy makes a positive influence on the integral cross section （ICS） for all the four reactions and that the reduce mass plays a negative role for the ICS. In addition, the scattering directions and the alignment and orientation of rotational angular momentum of the products are closely related to the collision energy and isotopic effect.
出处
《河南师范大学学报（自然科学版）》
CAS
北大核心
2014年第5期50-55,共6页
Journal of Henan Normal University(Natural Science Edition)
基金
国家自然科学基金(11274096)
河南省高校科技创新团队支持计划(13IRTSTHN016)
