DFT方法,进行opt+freq优化,其中包含溶剂化和弱作用(GD3)的计算,为什么总会出现如下这样的错误?如何...
Below the dispersion at LF ≈ 10 MHz, the profiles always had a plateau, where r1 was rather large and almost independent of LF, which allows an accurate measurement of r1. At low field, r1 was dominated by q and the electronic relaxation, whereas at higher field strengths the nuclear ...