Elsevier, Journal of Molecular Structure: THEOCHEM, (204), p. 379-388
DOI: 10.1016/0166-1280(90)85089-6
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The semiempirical quantum mechanical MNDO and AM1 methods are employed to model Porter's scheme for lipid peroxidation. The results obtained by the two methods, while supporting the proposed reaction pathway, show the expected differences in the structure of the investigated molecules.