AM1法研究1，2，3，4－四氢喹唑啉热分解反应

AM1 Method Study on the Thermolysis of 1, 2, 3, 4-Tetrahydroquinazoline

用ＡＭ１方法研究了１，２，３，４－四氢喹唑啉热分解反应．研究表明，目标反应可按两条竞争的路径进行．

The AM1 method (UHF calculations) has been employed to study the thermolysis of 1, 2, 3, 4-tetrahydroquinazoline. The result show that this thermolysis proceeds to products through two routes involving two stepts, and the activation energies of the rate-determining stepts of the route(Ⅰ) as well as route(Ⅱ) are 190. 246 and 241. 416 kJ·mol-1,respectively.