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Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA
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10.1063/1.2424456
/content/aip/journal/jcp/125/24/10.1063/1.2424456
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/24/10.1063/1.2424456
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) The molecules considered in the present work. On the top row are the purine bases guanine (left) and adenine (right); on the bottom row, left to right, are the nucleosides -deoxyguanosine and -deoxyadenosine and the nucleotide -deoxyadenosine -monophosphate. Oxygen is red (dark), carbon brown (medium), nitrogen blue (light), and hydrogen white; phosphorous is the light-yellow sphere surrounded by four oxygens.

Image of FIG. 2.
FIG. 2.

(Color online) Integral elastic cross sections for adenine computed in the static-exchange approximation using different basis sets: basis I (chained, violet), basis II (red, dashed), basis III (green, dotted), and basis IV (blue, solid). The top panel shows results for the component of the point group and the bottom panel for the component, where the resonances occur.

Image of FIG. 3.
FIG. 3.

(Color online) component of the low-energy integral cross section for elastic scattering of electrons by adenine computed in the SEP approximation.

Image of FIG. 4.
FIG. 4.

(Color online) Integral elastic cross sections for guanine computed in the static-exchange approximation using basis set basis III. Components of the cross section obtained in symmetry are shown in the top two panels. The bottom panel compares the summed cross section (dotted blue line) with the integral cross section obtained using the fully optimized nuclear geometry (solid red line).

Image of FIG. 5.
FIG. 5.

(Color online) component of the low-energy integral cross section for elastic scattering of electrons by guanine computed in the SEP approximation.

Image of FIG. 6.
FIG. 6.

(Color online) Integral elastic electron scattering cross sections for the nucleosides -deoxyguanosine (dashed red line), -deoxyadenosine (chained green line), and the nucleotide -deoxyadenosine -monophosphate (solid blue line), computed in the static-exchange approximation.

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/content/aip/journal/jcp/125/24/10.1063/1.2424456
2006-12-28
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/24/10.1063/1.2424456
10.1063/1.2424456
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