The reaction cross-sections have been calculated using the quasi-classical trajectory (QCT) method. In the second part, the stereodynamics of the He~+H_2~+ and its isotopically substituted reactions have been performed by QCT.
另一部分是利用准经典轨线方法研究了He~+H_2~+及其同位素取代反应的立体动力学性质。
参考来源 - 三原子体系反应的从头算及动力学研究·2,447,543篇论文数据,部分数据来源于NoteExpress
用准经典轨线方法研究了氯取代丙烷伯氢的反应。
The reaction of Cl substituting the primary hydrogen of C3H8 was investigated by quasiclassical trajectory method.
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。
The FAD model and the quasi-classical trajectory (QCT) calculations were applied to predict the dissociation probability of CH4+.
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