The electronic structures of SO2 and PF3 are discussed using the results of ab initio calculations in a double zeta basis of Slater type orbitals including sulphur and phosphorus 3d functions. A comparison is made with the results from single zeta calculations. The bonding and d orbital participation are discussed by transforming the SCF—MOs to localized orbitals.
M. F. Guest, I. H. Hillier and V. R. Saunders, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 114 DOI: 10.1039/F29726800114
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