Reaction Collision of Atom and Diatomic Molecule
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摘要: 一个原子与一个同核双原子分子反应碰撞的过渡态构型是线型的,计算了平衡临界键长的统计分布函数及其平均值、反应活化能和反应速率常数 ,理论结果与实验值相符. The transition state constructions of the atom-diatomic molecule reaction collision are linear or non-linear shapes. In the present paper, only linear constructions are considered. The statistical distribution function and the mean values of critical bond length, reaction energy and so on have been calculated. The theoretical results agree well with the experimental ones.Abstract: The transition state constructions of the atom-diatomic molecule reaction collision are linear or non-linear shapes. In the present paper, only linear constructions are considered. The statistical distribution function and the mean values of critical bond length, reaction energy and so on have been calculated. The theoretical results agree well with the experimental ones.
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Key words:
- transition state /
- statistical average /
- critical bond length
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