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Gallup, Gordon A. and Fabrikant, Ilya I.
(2011).
DOI: https://doi.org/10.1103/PhysRevA.83.012706
Abstract
Low-energy dissociative electron attachment to uracil molecules in the gas phase is partly controlled by interaction between the lowest σ* resonance with a dipole-supported anion state. We calculate this contribution using a combination of the finite element discrete model with the resonance R-matrix theory. Deuterated uracil is investigated, also, and a strong isotope effect is found. The results agree qualitatively and semiquantitatively with experimental data, but for a complete description of the process the interaction between a second N—H bond σ* resonance in the molecule and the second π* resonance should be included.
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About
- Item ORO ID
- 28426
- Item Type
- Journal Item
- Project Funding Details
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Funded Project Name Project ID Funding Body Not Set Not Set National Science Foundation under Grant No. PHY-0652866 Not Set Not Set Marie Curie International Incoming Grant No. FP7-PEOPLE-2009-IIF-252717 - Academic Unit or School
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Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM) - Copyright Holders
- © 2011 American Physical Society
- Depositing User
- Ilya Fabrikant