Application of Symplectic Algorithm in the Quasi-Classical Trajectory(QCT) Calculation of N + O_2 Reaction 辛算法在N+O2反应准经典轨线计算中的应用
The dynamic investigation of the scattering of O2 molecule from Si ( 100 ) unreconstructed surface has been made with quasi-classical trajectory method. 采用准经典轨迹计算方法对双原子分子O2与非重构Si(100)理想表面的散射过程进行了动力学研究。
The FAD model and the quasi-classical trajectory ( QCT ) calculations were applied to predict the dissociation probability of CH4 +. 在理论方面,我们用场致解离模型及准经典轨线方法计算了甲烷离子的解离几率。
Quasi-classical Trajectory Research for Ni ( ~ 3F_4 ) + H_2 ( X ~ 1 Σ _g ~ + ) Reaction 准经典轨迹法研究ni(~3f4)+h2(x~1∑g~+)反应