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Radiation Protection Dosimetry Advance Access published online on December 13, 2006
Radiation Protection Dosimetry, doi:10.1093/rpd/ncl452
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© The Author 2006. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org

Micros 2005 Special Issue

MOLECULAR BASIC DATA CALCULATION FOR RADIATION TRANSPORT IN CHROMATIN

Aude Peudon 1 *, Sandrine Edel 1, and Michel Terrissol 1

1 CPAT, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cédex 9, France

* To whom correspondence should be addressed.
Aude Peudon, E-mail: peudon{at}cpat.ups-tlse.fr


  Abstract

Differential and integral electron impact ionisation cross sections were calculated using the binary-encounter-Bethe theoretical model for each core particle molecules: the four DNA bases, the backbone (sugar phosphate), and the 19 amino acids constituent of histone proteins. The binding energies and populations of molecular orbitals were computed using General Atomic Molecular Electronic Structure System. At present, there are neither experimental nor other theoretical results on amino acid electron impact ionisation cross sections. Regarding DNA bases and backbone, our results show good agreement with those published in journals.


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