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First principles effective electronic couplings for hole transfer in natural and size-expanded DNA

Hole transfer processes between base pairs in natural DNA and size-expanded DNA (xDNA) are studied and compared, by means of an accurate first principles evaluation of the effective electronic couplings (also known as transfer integrals), in order to assess the effect of the base augmentation on the...

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Bibliografiske detaljer
Main Authors: Migliore, Agostino, Corni, Stefano, Varsano, Daniele, Klein, Michael L., Di Felice, Rosa
Format: Artigo
Sprog:Inglês
Udgivet: 2009
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2737706/
https://ncbi.nlm.nih.gov/pubmed/19537767
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp904295q
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