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Theoretical approach to modelling the low-barrier chemical reactions initiated by pulsed electron beam

机译:脉冲电子束引发的低屏障化学反应建模的理论方法

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摘要

A possibility to analyze low-barrier chemical reactions induced by electron beam is proposed within the framework of generalization of classical Kramers approach. A relationship for calculation of chemical reaction rate is received for potential barriers comparable with energy of system. It has been shown that results of our approach agree with results of dynamical modeling within 2% not only in the area of applicability of classical (Kramers) approach but also more widely.
机译:在古典克拉姆方法的概括框架内提出了分析电子束诱导的低屏障化学反应的可能性。接收用于计算化学反应速率的关系,用于与系统能量相当的潜在屏障。已经表明,我们的方法的结果不仅在古典(克拉姆斯)方法的适用范围内的2%内的动态建模的结果,而且也是更广泛的。

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