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Furtherab initio calculations on the allyl radical

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Abstract

Furtherab initio calculations of proton coupling constants using the LCGO technique are presented for the allyl radical, showing varying degrees of success.

Zusammenfassung

Es werden weitereab initio Rechnungen für die Proton-Kopplungskonstante angegeben wobei die LCGO-Methode auf das Allylradikal mit unterschiedlichem Erfolg angewandt wird.

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Hinchliffe, A. Furtherab initio calculations on the allyl radical. Theoret. Chim. Acta 25, 138–142 (1972). https://doi.org/10.1007/BF01135640

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Keywords

  • Physical Chemistry
  • Inorganic Chemistry
  • Organic Chemistry
  • Allyl
  • Proton Coupling