Abstract
Several methods are used to estimate the ionization potentials of radicals by the MINDO/3 procedure. The results are in quite good agreement with each other and with experiment.
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This work was supported by the Air Force Office of Scientific Research (Contract No. F44620-71-C-0119) and the Robert A. Welch Foundation (Grant F-126). The calculations were carried out using the CDC 6400/6600 computer at the University of Texas Computation Center.
Robert A. Welch Postdoctoral Fellow.
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Dewar, M.J.S., Kollmar, H.W. & Suck, S.H. Vertical ionization potentials of radicals by the MINDo/3 method. Theoret. Chim. Acta 36, 237–239 (1975). https://doi.org/10.1007/BF00572565
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DOI: https://doi.org/10.1007/BF00572565