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Title: Electron- and proton-induced ionization of pyrimidine

This present work describes a quantum-mechanically based model of the electron- and proton-induced ionization of isolated pyrimidine molecules. The impact energies range from the target ionization threshold up to ~1 keV for electrons and from 10 keV up to 10 MeV for protons. The cross-section calculations are performed within the 1st Born approximation in which the ejected electron is described by a Coulomb wave whereas the incident and the scattered projectiles are both described by plane waves. The pyrimidine target is described using the Gaussian 09 software package. Furthermore, our theoretical predictions obtained are in good agreement with experimental absolute total cross sections, while large discrepancies are observed between existing semi-empirical models and the present calculations.
Authors:
 [1] ;  [1] ;  [2]
  1. Univ. of Bordeaux, Talence (France)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
OSTI Identifier:
1235271
Report Number(s):
SAND2015--0879J
Journal ID: ISSN 1434-6060; 565604
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
European Physical Journal. D, Atomic, Molecular, Optical and Plasma Physics
Additional Journal Information:
Journal Volume: 69; Journal Issue: 5; Journal ID: ISSN 1434-6060
Publisher:
Springer
Research Org:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY