【摘要】 用量子化学从头计算方法研究了卤取代对三氮系 1 -3H原子转移互变异构的影响 ,探讨卤取代对降低反应活化能和稳定 N N双键的电子效应 .对反应机理作出解释更多还原

【Abstract】 Ab initio method has been used to study the reaction of 1 3H atom transformation reactions at the 3N system substituted by halogen. The calculation results have shown that the active energy of tautomerism and stability of NN affectted by the substituted halogen.更多还原