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• W1836765231 abstract "Low energy electron (LEE) induced single strand break (SSB) has been studied for 2'-deoxycytidine-5'-monophosphate (5'-dCMPH) molecules in the gas phase by means of ab initio electronic structure methods and local complex potential based time-dependent wavepacket quantum mechanical calculations. We have found that the LEE attachment to this cytidine nucleotide results in the formation of a transient metastable anion. The results obtained here show that the electron attachment takes place at the cytosine nucleobase center and within 18-20 fs, the LEE transfers to the σ* orbital of the sugar-phosphate 5' C-O bond. The characteristic electron attachment cross section spectrum is found at ∼1 eV, which is in good agreement with the available experimental observations. Quantum mechanical tunneling of the 5' C-O bound vibrational energy levels may contribute to SSB only above 1.5 eV energy regimes." @default.
• W1836765231 created "2016-06-24" @default.
• W1836765231 creator A5033362982 @default.
• W1836765231 creator A5073745067 @default.
• W1836765231 date "2015-01-01" @default.
• W1836765231 modified "2023-10-16" @default.
• W1836765231 title "The role of the shape resonance state in low energy electron induced single strand break in 2′-deoxycytidine-5′-monophosphate" @default.
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• W1836765231 doi "https://doi.org/10.1039/c5cp00126a" @default.
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