L'utilisation d'orbitales localisées dans l'étude théorique des molécules. I. Les hydrocarbures saturés
(1973) Theoretica Chimica Acta — Vol. 30, n° 3, p. 243-256 (1973)
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- 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, Ph., Leroy, G., & Peeters, D. (1973). L’utilisation d’orbitales localisées dans l’étude théorique des molécules. I. Les hydrocarbures saturés. Theoretica Chimica Acta, 30(3), 243-256. https://doi.org/10.1007/BF00527615 (Original work published 1973)