Low-energy electron collisions with tetrahydrofuran

Bouchiha, D.; Gorfinkiel, J.D.; Caron, L.G. and Sanche, L. (2006). Low-energy electron collisions with tetrahydrofuran. Journal of Physics B: Atomic, Molecular and Optical Physics, 39(4) pp. 975–986.

DOI: https://doi.org/10.1088/0953-4075/39/4/021

Abstract

We have performed calculations for electron collisions with tetrahydrofuran (THF) using the UK molecular R-matrix codes. This is the largest molecule ever treated with the R-matrix method, and the only biologically relevant molecule of this size studied theoretically in the inelastic regime. We report ab initio integral cross section for incident energies up to 10 eV. No shape resonances have been found for this system, but a few core-excited resonances are present.

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About

• Item ORO ID
• 6338
• Item Type
• Journal Item
• ISSN
• 1361-6455
• Keywords
• polyatomic-molecules; dna bases; scattering; damage; spectroscopy; deoxyribose; resonances; films; water
• Academic Unit or School
• Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
  Faculty of Science, Technology, Engineering and Mathematics (STEM)
• Research Group
• Physics
• Depositing User
• Astrid Peterkin