这是本文档旧的修订版!
k的值是基于每MD步反应次数除以反应物分子个数乘积,因此没有单位。
To get the usual units, they need to be divided by the MD timestep and multiplied by the molar volume (or divided by the concentration of reactants) to the appropriate power (according to the stoichiometry / order of the reaction).