Spin density distributions in primary oxidation and reduction products of irradiated nucleic acid constituents

Molecular orbital calculations of spin density at the INDO level of approximation have been performed for the primary oxidation and reduction products of irradiated nucleic acid constituents and for some related molecules. For the pyrimidine anions INDO spin densities are in qualitative agreement with experimentally obtained spin densities. INDO spin densities for certain of the neutral oxidation products do not agree with experimental results.

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