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用量子化学方法AM1（AustinModel1）研究了一系列有一氧化氮活性的咪唑类氮氧自由基及其反应中间体的几何结构、电子结构、电子自旋密度分布及其相对能量的关系．对这类氮氧自由基的取代基效应和捕捉NO的反应历程进行了理论探讨．
The quantum chemical method AM1 (AustinModel1) was used to study the geometric structure, electronic structure, electronic spin density distribution and relative energy of a series of nitroxide nitroxides and their reactive intermediates with nitric oxide activity. The substituent effects of such nitroxide radicals and the reaction of capturing NO were discussed theoretically.