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Low-energy electron collisions with gas-phase uracil

Winstead, Carl and McKoy, Vincent (2006) Low-energy electron collisions with gas-phase uracil. Journal of Chemical Physics, 125 (17). Art. No. 174304. ISSN 0021-9606. doi:10.1063/1.2353147.

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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.

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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.
Subject Keywords:DNA; molecular biophysics; electron impact excitation; triplet state; electron attachment; dissociation
Issue or Number:17
Record Number:CaltechAUTHORS:WINjcp06b
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:6195
Deposited By: Archive Administrator
Deposited On:28 Nov 2006
Last Modified:08 Nov 2021 20:31

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