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...本数据集涵盖了随角度变化的C-N-C-O键旋转计算能垒（计算结果），以及全部……的核磁共振波谱（Nuclear Magnetic Resonance, NMR）。