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Indo parameters for the first-and second-row transition metals

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Abstract

A system of INDO parameters F0(ij) and Uii for the first-and second-row transition metals is proposed. The system correctly reproduces the energies of the lowest terms of dn, dn−1s, dn−2s2, dn−1p, and dn−2sp configurations of M0 atoms and M1+ ions. The parameters are estimated from spectroscopic values of energies of the terms and Fk(ij) and Gk(ij) parameters.

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Authors
  1. O. V. Sizova
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  2. V. I. Baranovskii
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Additional information

St. Petersburg State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 4, pp. 3–11, July–August, 1994.

Translated by O. Kharlamova

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Sizova, O.V., Baranovskii, V.I. Indo parameters for the first-and second-row transition metals. J Struct Chem 35, 425–432 (1994). https://doi.org/10.1007/BF02578351

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  • DOI: https://doi.org/10.1007/BF02578351

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