Investigação teórica do espalhamento de elétrons pela molécula de Pirimidina (C4H4N2)

Abstract

Recently, several studies involving biological materials have associated the low energies electrons as one of the main responsible for causing cell damage through a great variety of processes. Having the knowledge on the whole path of the processes include obtaining the electron-(bio-molecules) interaction cross sections. However, up to date, there is not complete understanding of the whole situation. The goal of the present work was to provide additional information on these studies. In this work, we report a theoretical investigation on electron-molecule scattering for a important biological compound: Pyrimidine (C4H4N2). Differential cross sections (DCS), integral cross sections (ICS), total cross sections, and total absorption cross sections were obtained at the intermediate energy range (1-500 eV). Our calculated results were compared with experimental results and other theoretical results available in the literature. All the computational studies were performed using the EPolyScatD code at the “Laboratório de Espalhamento de Elétrons - Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas (ICET-UFAM)”, located in Itacoatiara, Amazonas