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应用分子轨道图形理论和休克尔(Hückel)分子轨道(HMO)理论,结合加权分子图和图形分割定理,能简单、快速、准确地求得含2个氮原子的芳杂环(吡嗪分子的休克尔哈密顿)本征多项式(本征函数),所用方法可推广到含1个到2个杂原子的共轭链烯烃和共轭芳烃
Using molecular orbital graph theory and Hückel molecular orbital (HMO) theory, combining with the weighted molecular graph and the graph segmentation theorem, the aromatic heterocycle containing two nitrogen atoms Shockal Hamiltonian) intrinsic polynomials (eigenfunctions) that can be generalized to conjugated alkenes and conjugated aromatics containing 1 to 2 heteroatoms