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. https://resolver.caltech.edu/CaltechAUTHORS:WINjcp06b
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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.
| Item Type: | Article | ||||||
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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 | ||||||
| DOI: | 10.1063/1.2353147 | ||||||
| Record Number: | CaltechAUTHORS:WINjcp06b | ||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:WINjcp06b | ||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 6195 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Archive Administrator | ||||||
| Deposited On: | 28 Nov 2006 | ||||||
| Last Modified: | 08 Nov 2021 20:31 |
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