Cu-wire-mediated dipyrimidine base pairs as the building blocks for conductive and magnetic Cu-DNA nanowires

DOI10.1007/S10910-017-0744-XzbMATH Open1370.92179OpenAlexW2597256708MaRDI QIDQ2402804FDOQ2402804

Authors: Nan Lu, Yuxiang Bu, Gui-Mei Luo 

Publication date: 14 September 2017

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-017-0744-x

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zbMATH Keywords

density functional theorydipyrimidinemetalized DNAorbital compositionspin delocalization

Mathematics Subject Classification ID

Statistical mechanics of magnetic materials (82D40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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• GAUSSIAN

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