DFT study on metal-mediated uracil base pair complexes
Joint Authors
Source
Journal of Saudi Chemical Society
Issue
Vol. 21, Issue 7 (30 Nov. 2017), pp.837-844, 8 p.
Publisher
Publication Date
2017-11-30
Country of Publication
Saudi Arabia
No. of Pages
8
Main Subjects
Topics
Abstract EN
The most stable of metal-mediated uracil base pair complexes were determined.
Method was used density functional theory, B3LYP.
The calculations of systems containing C, H, N, O were described by 6-311++G(d,p) and cc-PVTZ basis sets and LANL2DZ and SDD basis sets was used for transition metals.
Then Egap values of complexes were calculated and the electrical conductivity of the complexes for single nanowires was studied by band theory.
Metal-mediated uracil base pair complexes which will be used as conductive wires in nanotechnology were predicted.
In nanoworld, this study is expected to show a way for practical applications.
American Psychological Association (APA)
Ungordu, Ayhan& Tezer, Nurten. 2017. DFT study on metal-mediated uracil base pair complexes. Journal of Saudi Chemical Society،Vol. 21, no. 7, pp.837-844.
https://search.emarefa.net/detail/BIM-781846
Modern Language Association (MLA)
Ungordu, Ayhan& Tezer, Nurten. DFT study on metal-mediated uracil base pair complexes. Journal of Saudi Chemical Society Vol. 21, no. 7 (Nov. 2017), pp.837-844.
https://search.emarefa.net/detail/BIM-781846
American Medical Association (AMA)
Ungordu, Ayhan& Tezer, Nurten. DFT study on metal-mediated uracil base pair complexes. Journal of Saudi Chemical Society. 2017. Vol. 21, no. 7, pp.837-844.
https://search.emarefa.net/detail/BIM-781846
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 843-844
Record ID
BIM-781846