Interpretation of photoelectron spectra using the semiempirical AM-1 method I. Nitroazoles |
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| Authors: | V. K. Turchaninov D. K. Danovich A. F. Ermikov V. G. Zakzhevskii L. A. Es'kova |
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| Affiliation: | 1. Irkutsk Institute of Organic Chemistry, Siberian Branch, Academy of Sciences of the USSR, USSR
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| Abstract: | Use of the single particle Green's function in semiempirical calculations (AM-1) of the ionization energies of nitroazoles provides satisfactory agreement with photoelectron spectroscopy data. |
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