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审稿人意见 求解！
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审稿人意见，请各位帮忙解答，审稿人要求我们计算什么以及如何进行相应计算，谢谢！ The proposed Eq. (3) is quite interesting. Considering that the authors have most of the results, why they don’t have evaluated the global relative free energy of this global process? In addition, they also can study its evolution with the temperature, i.e. evaluating the free energy of the reactants and products with different temperatures. These results could reinforce the conclusions of this work. This last aspect can be easily performed using the freqchk application of Gaussian https://gaussian.com/freqchk/). |
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