Radiation damage of biosystems mediated by secondary electrons: resonant precursors for uracil molecules.
Calculations are presented for the energy locations and spatial structures of low-energy resonant states describing transient negative ions (TNIs) of the uracil molecule in the gas phase. The resonant states are modeled using scattering calculations of low energy electrons interacting with isolated molecules in their equilibrium geometry. The interaction forces used in this model are described in detail. Examination of the spatial densities of the excess resonant electrons for the various TNIs found by the calculations allows one to associate the metastable anions with specific features of the experimentally observed fragmentation patterns.
Gianturco
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FA
Department of Chemistry, University of Rome La Sapienza and INFM, Piazzale A. Moro 5, 00185 Rome, Italy. fa.gianturco@caspur.it
Lucchese
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RR