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MO self-consistent-field calculations of quinoline and its derivatives

I. Calculation of the electronic spectra of quinoline and 8-hydroxyquinoline by the CNDO (complete neglect of differential overlap) method

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Chemistry of Heterocyclic Compounds Aims and scope

Abstract

The electronic spectra and electronic structures of quinoline, the hydroxy form of 8-hydroxyquinoline, and the zwitterion form of 8-hydroxyquinoline, and the 8-hydroxy-N-methylquinolinium ion were calculated by the MO self-consistent-field method within the CNDO (complete neglect of differential overlap) approximation.

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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1524–1528, November, 1976.

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Zuika, I.V., Bruvers, Z.P. & Yurgis, A.Y. MO self-consistent-field calculations of quinoline and its derivatives. Chem Heterocycl Compd 12, 1255–1258 (1976). https://doi.org/10.1007/BF00470226

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  • DOI: https://doi.org/10.1007/BF00470226

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