首页> 外文会议>International Conference on Computational Scinece and Its Applications(ICCSA 2005) pt.1; 20050509-12; Singapore(SG) >Thermal Rate Coefficients for the N + N_2 Reaction: Quasiclassical, Semiclassical and Quantum Calculations
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Thermal Rate Coefficients for the N + N_2 Reaction: Quasiclassical, Semiclassical and Quantum Calculations

机译:N + N_2反应的热速率系数:准经典,半经典和量子计算

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摘要

The thermal rate constants for the N + N_2 gas-phase reaction have been calculated using the quasiclassical semiclassical and reduced dimensionality quantum methods. The improvement of semi-classical over quasiclassical calculations (with respect to quantum ones) is significant.
机译:N + N_2气相反应的热速率常数已使用准经典半经典和降维量子方法计算得出。半经典计算比准经典计算(相对于量子计算)的改进意义重大。

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