UHF-AMI studies on 1,n (n = 2,3,4,5) intramolecular H-atom transfer reactions in alkyl radicals

Reaction Kinetics and Catalysis Letters

Volumn 58, Issue 1, 1996, Pages 27-31

  Kortvelyesi T ^a   Seres, L ^b  

^a UNIVERSITY OF SZEGED   (Hungary)

^b Gy Juhász Teachers Training College   (Hungary)

Author keywords

Activation enthalpies; Alkyl radicals; H atom transfer; Intramolecular; Transition states; UHF AMI

Indexed keywords

EID: 11744336119     PISSN: 01331736     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf02071101     Document Type: Article

References (10)

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4. S. Dóbé, T. Bérces: in Chemical Kinetics of Small Organic Radicals, Vol.1., p 89, (Z.B. Alfassi, Ed.). CRC Press, Boca Raton, Florida 1988.
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7. B. Viskolcz, Gy. Lendvay, T. Körtvélyesi, L. Seres: to be published.
8. J.J.P. Stewart: MOPAC Version 6.1, 1990.
9. The Z-matrices of the transition states are available on request from one of the authors (T.K.).
10. S.W. Benson: Thermochemical Kinetics, 2nd ed. Wiley-Interscience, New York 1976.