Calculated activation and reaction energies for the cycloaddition reactions.

Calculated activation and reaction energies (B3LYP/6-311+G(d) level, kcal/mol) for the cycloaddition reactions (see Fig. 2).Calculated activation and reaction energies for the cycloaddition reactions.针对环加成反应（参见图2），本数据集收录了B3LYP/6-311+G(d)计算级别下、以千卡每摩尔（kcal/mol）为单位的计算活化能与反应能。本数据集收录了环加成反应的计算活化能与反应能。