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Type: Artigo de periódico
Title: Electron Collisions With The Ch2 O-h2 O Complex
Author: Freitas T.C.
Lima M.A.P.
Canuto S.
Bettega M.H.F.
Abstract: We report cross sections for elastic collisions of low-energy electrons with the CH2 O-H2 O complex. We employed the Schwinger multichannel method with pseudopotentials in the static-exchange and in the static-exchange-polarization approximations for energies from 0.1 to 20 eV. We considered four different hydrogen-bonded structures for the complex that were generated by classical Monte Carlo simulations. Our aim is to investigate the effect of the water molecule on the π□ shape resonance of formaldehyde. Previous studies reported a π□ shape resonance for CH2 O at around 1 eV. The resonance positions of the complexes appear at lower energies in all cases due to the mutual polarization between the two molecules. This indicates that the presence of water may favor dissociation by electron impact and may lead to an important effect on strand breaking in wet DNA by electron impact. © 2009 The American Physical Society.
Rights: aberto
Identifier DOI: 10.1103/PhysRevA.80.062710
Date Issue: 2009
Appears in Collections:Unicamp - Artigos e Outros Documentos

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