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Published November 7, 2006 | public
Journal Article Open

Low-energy electron collisions with gas-phase uracil

Abstract

We have studied gas-phase collisions between slow electrons and uracil molecules with a view to understanding the resonance structure of the scattering cross section. Our symmetry-resolved results for elastic scattering, computed in the fixed-nuclei, static-exchange and static-exchange-plus-polarization approximations, provide locations for the expected pi* shape resonances and indicate the possible presence of a low-energy sigma* resonance as well. Electron-impact excitation calculations were carried out for low-lying triplet and singlet excitation channels and yield a very large singlet cross section. We discuss the connection between the resonances found in our elastic cross section and features observed in dissociative attachment.

Additional Information

©2006 American Institute of Physics (Received 26 June 2006; accepted 16 August 2006; published online 6 November 2006) This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, and employed computational resources of the Caltech–JPL Supercomputing Project.

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August 22, 2023
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October 16, 2023