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Interpretation of photoelectron spectra in the AM1 semiempirical method. 3. 2-Substituted benzimidazoles
Authors:A. F. Ermikov  V. K. Turchaninov  V. G. Zakzhevskii  L. V. Baikalova
Abstract:Analysis of photoelectron spectra of 2-substituted benzimidazoles showed that their orbital structure is determined by the form and energy position of the fragment orbital (pgr-symmetry) of the substituent.For previous communication, see [1].Irkutsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk 664033. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 4, pp. 880–884, April, 1992.
Keywords:photoelectron spectroscopy  semiempirical quantum-chemical calculations  benzimidazoles
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