Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group

All primary data files and processed data of the journal article from Kästner group. The input and output of each DFT calculation in one directory.

本数据集包含了 Kästner 研究小组发表之学术论文的全部原始数据文件及其处理后的数据。每个目录中均包含 DFT 计算的输入与输出结果。