“3) Thermal enthalpies should be included in addition to the single-point energies, ZPEs, and solvation energies. In this way, ΔH values could be calculated and reported. ”
通过DFT计算我主要统计了scf能量，包括了单点能以及溶剂化效应，还有Gibbs自由能。审稿人的意思是说加入“Sum of electronic and thermal Enthalpies=......”这项能量还是说另有所指？
问题可能有点小白，虚心请教各位，谢谢了！
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