Comment on "Radiation damage of biosystems mediated by secondary electrons: Resonant precursors for uracil molecules" [J. Chem. Phys. 120, 7446 (2004)]

Resonances computed by Gianturco and Lucchese are incorrectly correlated with those observed experimentally. A shift of their pi* resonances by 2 eV gives satisfactory agreement. Arguments for determining whether a resonance is a suitable precursor for the fragmentation products are too simplistic,...

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Veröffentlicht in:The Journal of chemical physics 2005-02, Vol.122 (8), p.87105-87105
1. Verfasser: Burrow, P D
Format: Artikel
Sprache:eng
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Zusammenfassung:Resonances computed by Gianturco and Lucchese are incorrectly correlated with those observed experimentally. A shift of their pi* resonances by 2 eV gives satisfactory agreement. Arguments for determining whether a resonance is a suitable precursor for the fragmentation products are too simplistic, and in one example, incorrect.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1850460