Acta Chimica Sinica ›› 1996, Vol. 54 ›› Issue (3): 242-247. Previous Articles     Next Articles

Original Articles

卡宾与氢氰酸加成反应机理的量子化学研究

唐作华;李来才;孙泽民;田安民;鄢国森;周红平   

  1. 四川大学化学系;西南交通大学
  • 发布日期:1996-03-15

Study on quantum chemistry of the addition reaction for carbene with cyanic acid

TANG ZUOHUA;LI LAICAI;SUN ZEMIN;TIAN ANMIN;YAN GUOSEN;ZHOU HONGPING   

  • Published:1996-03-15

MNDO has been employed to study the reaction pathways and to optimize structure of the reactant, product and transition states for the addition reaction of carbene with cyanic acid. The reaction mechanism of carbene with cyanic acid has been determinated by theory.

Key words: REACTION MECHANISM, QUANTUM CHEMISTRY, ADDITION REACTION, ACTIVATION ENERGY, HYDROCYANIC ACID, MNDO METHOD

CLC Number: