摘要
利用ａｂｉｎｉｔｉｏＲＨＦ／４－３１Ｇ法对甲酰胺氢迁移反应进行了研究，考察了ＩＲＣ上的临界点，得到了反应的过渡态和活性能。
The movement of a proton in Formamide has been investigated by ab .initiocalculation using RHF/43 1 - G basis bet. calculating the critical points along the reaction path. we obtain the transition state and activation energy of the reaction.
出处
《哈尔滨师范大学自然科学学报》
CAS
1995年第1期77-80,共4页
Natural Science Journal of Harbin Normal University
