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多核芳烃的电子结构和致癌活性的研究是量子生物化学的一个重要课题。从1938年Schmidt开始,经过Pullman、Herndon、Berger等人的工作,一直延续至今。量子生化工作者不断改进自己的计算方法,寻找描述致癌活性更为有效的结构指数,分析分子中的致癌关键部
The study of the electronic structure and carcinogenic activity of polynuclear aromatics is an important subject in quantum biochemistry. From Schmidt in 1938, after the work of Pullman, Herndon, Berger, etc., has continued to this day. Quantum biochemical workers are constantly improving their own calculation methods, looking for structural indexes that describe carcinogenic activity more efficiently, and analyzing key cancer-causing molecules in molecules.