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Modelling the nanoscale patterning of nucleic acid base pairs deposited on graphite
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Walsh, Tiffany R. (2008) Modelling the nanoscale patterning of nucleic acid base pairs deposited on graphite. Molecular Physics, Vol.106 (No.12-13). pp. 1613-1619. doi:10.1080/00268970802225533 ISSN 0026-8976.
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Official URL: http://dx.doi.org/10.1080/00268970802225533
Abstract
Interactions between graphite and nucleic-acid base pairs are investigated. An existing polarizable potential that uses distributed multipoles up to and including quadrupoles is extended to describe the graphite surface and the nucleic-acid bases cytosine and guanine. Adsorption energies and structures calculated with this potential are compared with data obtained using electronic structure theory. Structures of co-adsorbed cytosine and guanine layers are optimised and two competing arrangements, the 'dimer-row' and 'quartet-row' patterns, are compared with experimental scanning tunnelling microscopy images. We include two factors not considered in previous studies: the presence of the graphite surface and the inter-row packing. However, our findings agree with previous calculations in that the 'quartet-row' is energetically preferred, despite STM experiments suggesting the 'dimer-row' structure is observed.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Library of Congress Subject Headings (LCSH): | Nanochemistry, DNA, Graphite, Nucleic acids | ||||
Journal or Publication Title: | Molecular Physics | ||||
Publisher: | Taylor & Francis Ltd. | ||||
ISSN: | 0026-8976 | ||||
Official Date: | 2008 | ||||
Dates: |
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Volume: | Vol.106 | ||||
Number: | No.12-13 | ||||
Number of Pages: | 7 | ||||
Page Range: | pp. 1613-1619 | ||||
DOI: | 10.1080/00268970802225533 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
Data sourced from Thomson Reuters' Web of Knowledge
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