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首页> 外文期刊>Berichte der Bunsengesellschaft fur Physikalische Chemie >A State-to-State Statistical-Dynamical Theory for Large Molecule Collisional Energy Transfer
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A State-to-State Statistical-Dynamical Theory for Large Molecule Collisional Energy Transfer

机译:大分子碰撞能量转移的国家间统计动力学理论

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摘要

A statistical-dynamical theory of large molecule energy transfer based on state-to-state transition probabilities is derived and a demonstration calculation is presented for cyclopropane deactivation by helium. For demonstra- tion purposes, the SSH(T) theory is used for calculating state-to-state transition probabilities, and thus the present calculations are expected to provide only general trends. Various tests for convergence of the calculations are described. The calculations are shown to be practical even for energies where the vibrational state densities exceed 10~10 states cm~-1.
机译:推导了基于状态间转移概率的大分子能量转移的统计动力学理论,并给出了氦气对环丙烷失活的示范计算。出于演示目的,SSH(T)理论用于计算状态到状态的转移概率,因此,目前的计算预期仅提供一般趋势。描述了计算收敛的各种测试。结果表明,即使对于振动态密度超过10〜10个态cm〜-1的能量,该计算也是实用的。

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