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GFSHARON520

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[求助] 计算电催化过程中某一基元反应的速率常数

如题,现已知道[NiOOH...CO2]ads解吸成NiOOH和CO2速率常数,求如何计算[Ni(OH)2...CO2]解吸的速率常数,我想通过理论计算比较下两个反应的快慢。在此谢过大神
相关文献链接:http://pubs.acs.org/doi/abs/10.1021/jp105159t
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