Molecular basic data calculation for radiation transport in chromatin

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.