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Quantum-mechanical predictions of electron-induced ionization cross sections of DNA components
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10.1063/1.4802962
/content/aip/journal/jcp/138/18/10.1063/1.4802962
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/18/10.1063/1.4802962

Figures

Image of FIG. 1.
FIG. 1.

Electron impact total ionization cross section of adenine. Comparison between our results (blue line) and the semi-classical predictions: BEB model (red line: Możejko and Sanche; green line: Bernhardt and Paretzke ), DM model (orange line: Bernhardt and Paretzke ), and iBED model (magenta line: Huo ).

Image of FIG. 2.
FIG. 2.

Electron impact total ionization cross section of thymine. Comparison between our results (blue line), the semi-classical predictions: BEB model (red line: Możejko and Sanche; green line: Bernhardt and Paretzke ), DM model (orange: Bernhardt and Paretzke ), and iBED model (magenta line: Huo ) and the experimental absolute total ionization cross sections taken from Shafranyosh

Image of FIG. 3.
FIG. 3.

Theoretical electron impact total ionization cross sections for a tetrahydrofuran target (blue line) compared to the BEB model predictions of Możejko and Sanche (red line) as well as to experimental data: rescaled measurements from Dampc (blue diamonds), total ionization cross sections of Fuss (orange squares), and total inelastic (ionization + excitation) cross sections of Baek (green circles).

Image of FIG. 4.
FIG. 4.

(a) Electron impacted total ionization cross sections of the different DNA components. (b) Electron impacted total ionization cross sections of the different DNA components normalized by the corresponding number of target electrons .

Tables

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Table I.

Comparison between our calculated vertical ionization potentials and a compilation of existing experimental data for the different DNA components here investigated.

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Table II.

RHF/3-21G description of the tetrahydrofuran isolated molecule.

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Table III.

Electron-impact total ionization cross sections (in numerical form, 10 cm units) for the different DNA components.

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/content/aip/journal/jcp/138/18/10.1063/1.4802962
2013-05-09
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quantum-mechanical predictions of electron-induced ionization cross sections of DNA components
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/18/10.1063/1.4802962
10.1063/1.4802962
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