摘要
此文用ＭＮＤＯ方法研究了亚硝基甲胺异构化反应的机理。
MNDO method has been employed to study reaction pathway and to optimize stucture of reactant, product and transition state for nitrosomethylanine tautomerism.The chargetransfer effects, the formation and breaking fo chemical bonds have beend iscussed.RRKM theory has been used to calculate the thermodynamic parameters at 298 K, 1 atm,of gas phase.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1994年第4期425-432,共8页
Journal of Atomic and Molecular Physics
