PE - S/Z - Sc-Endo - C2-Endo - SePh-Exo - MeCN

Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.本数据集所包含的计算结果，系2013年伦敦帝国理工学院（Imperial College London）题为《有机催化的机制洞察》（Mechanistic Insights into Organocatalysis）的博士学位论文研究的组成部分。