Low-energy electron scattering from DNA and RNA bases:Shape resonances and radiation damage

Calculations are carried out to determine elastic-scattering cross sections and resonance energies for low-energy electron impact on uracil and on each of the DNA bases (thymine, cytosine, adenine, and guanine), for isolated molecules in their equilibrium geometry. Our calculations are compared with...

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Bibliographic Details
Published in:The Journal of chemical physics 2006-02, Vol.124 (5), p.054312-054312-11
Main Authors: Tonzani, Stefano, Greene, Chris H.
Format: Article
Language:English
Subjects:
Biophysics - methods
Computer Simulation
DNA - chemistry
DNA - radiation effects
DNA Damage
Electrons
Models, Molecular
Models, Statistical
Normal Distribution
Nucleotides - chemistry
RNA - chemistry
RNA - radiation effects
Scattering, Radiation
Software
Time Factors
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Summary:Calculations are carried out to determine elastic-scattering cross sections and resonance energies for low-energy electron impact on uracil and on each of the DNA bases (thymine, cytosine, adenine, and guanine), for isolated molecules in their equilibrium geometry. Our calculations are compared with the available theory and experiment. We also attempt to correlate this information with experimental dissociation patterns through an analysis of the temporary anion structures that are formed by electron capture in shape resonances.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2148965