同时利用RRKM(Rice–Ramsperger–Kassel–Marcus)和变分过渡态理论(variational transition state theory)计算了在200K-3000K的温度范围内主要分支反应的反应速率常数。通过求解一维主方程计算了高压近似下和不同压强下的速率常数。
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The rate constant of the reaction can be calculated from the MEP using variational transition state theory (VTST).
由所得的反应路径曲线，应用变分过渡态理论就可以算出反应速率常数。
参考来源 - 自由基反应的理论研究·2,447,543篇论文数据，部分数据来源于NoteExpress
The theoretical rate constants in the conventional transition state theory and the variational transition state theory with correction of tunneling effect were calculated.
用传统过渡态理论和变分过渡态理论及相关的隧道效应校正计算了反应的速率常数。
The reaction rate constants have been calculated according to conventional transition state theory, variational transition state theory and tunneling corrections respectively.
根据传统过渡态理论、变分过渡态理论及相应的隧道效应校正，计算了本重排反应的反应速率常数。
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