摘要
用AMl方法(UHF计算)研究了RNCO与NO_(2)热反应的机理.结果表明,当R=H,CH_(3)和CHO基时,反应的速控步是自由基反应.
:AM1 method,with the UHF calculations, has been used to study tbe thermal reactions ofRNCO(R=H,CH3,and CHO)with NO2. The results obtained show that these reactions are exothermic, andthe activation energies of their rate-determining steps are 280. 918(R=H), 207. 066(R=CH3),and 228. 641(R=CHO) kJ·mol-1,respectively.
出处
《江西师范大学学报（自然科学版）》
CAS
1995年第1期65-68,共4页
Journal of Jiangxi Normal University(Natural Science Edition)
基金
江西省自然科学基金资助项目
