MNDO method and GAMESS90 programs have been employed respectively to investigate limited reaction pathways and to optimize structure of transition states for the keto-enol tautomerism.

• 采用MNDO方法和GAMESS90程序,对酮-烯醇互变异构进行了研究,得到了互变异构的极小能量反应途径及其过渡态的几何构型。