Abstract
The five simplest alkanes have been studied in terms of localized orbitals. The transferability of the Fock matrix elements in this basis allows us to elaborate a simple parametric procedure adapted for saturated hydrocarbons. Some original applications of this procedure are performed.
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Degand, P., Leroy, G. & Peeters, D. L'utilisation d'orbitales localisées dans l'étude théorique des molécules. Theoret. Chim. Acta 30, 243–256 (1973). https://doi.org/10.1007/BF00527615
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DOI: https://doi.org/10.1007/BF00527615