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Furtherab initio calculations on the allyl radical

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


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