Chem. J. Chinese Universities ›› 1985, Vol. 6 ›› Issue (8): 703.
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Pan Yinming, Zhao Xuezhuang, Liu Jingjiang, Kao Chenheng
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Abstract: In this paper, the configurations for the intermediates and transition slates of C6H8-NO2+ system, obtained by the SCF-CNDO/2 method, have been analyzed. The reaction path for nitration of benzene can be appraised. Additionally, some experiment phenomena in connection with this reaction may be explained, too.
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Pan Yinming, Zhao Xuezhuang, Liu Jingjiang, Kao Chenheng . A Quantum Chemical Study of the C6H6-NO2+ System(Ⅲ)——The Analysis of Intermediates, Transition States and Reaction Path[J]. Chem. J. Chinese Universities, 1985, 6(8): 703.
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http://www.cjcu.jlu.edu.cn/EN/Y1985/V6/I8/703
