Literature DB >> 16468874

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

Stefano Tonzani1, Chris H Greene.   

Abstract

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.

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Year:  2006        PMID: 16468874     DOI: 10.1063/1.2148965

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Solvation free energies of molecules. The most stable anionic tautomers of uracil.

Authors:  Maciej Haranczyk; Maciej Gutowski; Arieh Warshel
Journal:  Phys Chem Chem Phys       Date:  2008-06-11       Impact factor: 3.676

Review 2.  Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies.

Authors:  Shina C L Kamerlin; Maciej Haranczyk; Arieh Warshel
Journal:  J Phys Chem B       Date:  2009-02-05       Impact factor: 2.991

3.  Attosecond interferometry of shape resonances in the recoil frame of CF4.

Authors:  Saijoscha Heck; Denitsa Baykusheva; Meng Han; Jia-Bao Ji; Conaill Perry; Xiaochun Gong; Hans Jakob Wörner
Journal:  Sci Adv       Date:  2021-12-03       Impact factor: 14.136

  3 in total

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