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用变分过渡态理论对ＣＨ３ＳｉＨ３与Ｈ的抽提反应进行了理论研究；利用从头算计算了反应体系的构型、振动频率和能量等信息；计算了温度在２９８—１７００Ｋ内反应的速率常数和穿透系数。结果表明，在室温下，变分对于此反应影响较大，隧道效应特别明显，计算得到的速率常数和实验值符合得很好。
Theoretical studies on the extraction of CH3SiH3 and H were carried out by using the theory of variational transition states. The structure, vibration frequency and energy of the reaction system were calculated ab initio. The rate constants of the reaction at 298-1700K and Penetration coefficient. The results show that, at room temperature, the variation has a great effect on the reaction, and the tunneling effect is particularly obvious. The calculated rate constant is in good agreement with the experimental data.