ArticleThe journal of physical chemistry. A2026
Multichannel Coupling in the Electronic Excitation of Pyrimidine Induced by Low-Energy Electron Impact.
Article in The journal of physical chemistry. A, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
We present elastic and electronically inelastic cross sections for the scattering of low-energy electrons by pyrimidine. The calculations employed the Schwinger multichannel method for impact energies up to 50 eV. The cross sections were computed within the minimal orbital basis for single configuration interactions (MOB-SCI) strategy, considering from 1 to 295 open channels. Our results are compared with theoretical and experimental data available in the literature. Although we found good agreement in the elastic scattering, there are discrepancies between the inelastic cross sections, which are discussed in light of the multichannel coupling. We also estimated the total cross section by summing the elastic, electronically inelastic, and total ionization cross sections, where the latter was obtained using the binary-encounter-Bethe model.
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