CNDO calculations have been performed, with geometry optimization, for a number of small inorganic radicals containing phosphorus. The optimized geometries and the calculated spin densities are compared with the available experimental results, particularly e.s.r. data.
D. Kilcast and C. Thomson, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 435 DOI: 10.1039/F29726800435
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