And the first thing you do is you calculate the vibrational spectrum of coumarin, and you smooth it out, so that you have a nice picture of what the sort of chord, so to speak, of coumarin is.
第一件要做的事情就是计算香豆素的震动频率 计算完成 就顺利多了 现在你有一张 可以说是香豆素"和弦"的图片