Theoretica chimica acta

, Volume 25, Issue 2, pp 138–142 | Cite as

Furtherab initio calculations on the allyl radical

  • A. Hinchliffe


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


Physical Chemistry Inorganic Chemistry Organic Chemistry Allyl Proton Coupling 
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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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  1. 1.
    Hinchliffe,A.: Chem. Physics Letters (in press).Google Scholar
  2. 2.
    Stewart, R.F.: J. chem. Physics52, 431 (1970).Google Scholar
  3. 3.
    —: J. chem. Physics50, 2485 (1969).Google Scholar
  4. 4.
    QCPE program No. 92, Indiana University, U.S.A.Google Scholar
  5. 5.
    Amos, A.T., Snyder, L.C.: J. chem. Physics46, 3144 (1967).Google Scholar
  6. 6.
    Pariser, R., Parr, R. G.: J. chem. Physics21, 466 (1953).Google Scholar
  7. 7.
    McWeeny, R., Sutcliffe, B.T.: Methods of molecular quantum mechanics, p. 87. Academic Press 1970.Google Scholar
  8. 8.
    McConnell, H.M.: J. chem. Physics28, 1188 (1958).Google Scholar

Copyright information

© Springer-Verlag 1972

Authors and Affiliations

  • A. Hinchliffe
    • 1
  1. 1.Chemistry DepartmentU.M.I.S.T.ManchesterEngland

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