Computational data and NMR characterization data for "Rotational barriers of ...

This dataset includes the calculated energy barriers of the C‐N‐C‐O bond rotation in dependency of the angle (Computational Results) as well as the NMR spectra of all...

本数据集包含了与角度相关的C-N-C-O键旋转计算能垒（计算结果），同时还收录了所有……的核磁共振（NMR）波谱。