Theory is developed to enable the density matrix results of CNDO self-consistent field molecular orbital calculations to be correlated with chemists' ideas of ‘valency.’ Both the valencies of atoms and the anisotropy of an atom in a given environment are derived quantitatively. Examples chosen from carbon, nitrogen, and borane chemistry yield results which are gratifyingly consistent with the chemistry of the system.
D. R. Armstrong, P. G. Perkins and J. J. P. Stewart, J. Chem. Soc., Dalton Trans., 1973, 838 DOI: 10.1039/DT9730000838
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