中文摘要：

aminolysis 和 n 甲基 -sultam 的 aminolysis 过程上的水的效果用密度被学习了在 B3LYP/6-31G 的功能的理论(DFT ) 方法 * 水平。静止结构和精力被调查了让两反应发现二不同反应隧道。特定、一般的溶剂效果被评估了，最赞成的小径被发现。溶剂的存在不赞成反应，而在 aminolysis 反应的水的参予起一个积极作用并且极大地减少激活精力。在帮助 aminolysis 的所有转变状态是比为非帮助的反应的那些低的 3570 kJ/mol。

英文摘要：

The aminolysis and the effect of water on the aminolysis processes of n-methyl β-sultam have been studied using density functional theory （DFF） method at the B3LYP/6-31G＊ level. The stationary structures and energies have been investigated for both reactions to find two different reaction channels. Specific and general solvent effects have been evaluated and the most favored pathway was found. The presence of solvent disfavors the reaction, whereas the participation of water in the aminolysis reaction plays a positive role and reduces the activation energy greatly. All transition states in the assisted aminolysis are 35-70 kJ/mol lower than those for the non-assisted reaction.