论文部分内容阅读
采用ＭＮＤＯ方法对乙腈异构化成进行研究，得到了互变异构反应途径及其过渡态的几何构型。从理论上论证了这种反应的可行性。
The MNDO method was used to study the isomerization of acetonitrile. The tautomeric reaction pathway and the geometrical configuration of its transition state were obtained. Theoretically demonstrated the feasibility of this reaction.