Molecular orbital methods INDO and MZDO have been modified in an attempt to calculate spin density in large molecules where d orbitals may be included. Several such methods have been tested on the four radicals methyl, phenyl, benzonitrile anion and pyridine anion by comparing spin and charge distributions with those calculated by Pople et al. The most successful method is a modification of INDO.
A. T. Casey, R. A. Craig and M. J. Scarlett, J. Chem. Soc., Faraday Trans. 2, 1973, 69, 132 DOI: 10.1039/F29736900132
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