Towards metalated DNA-based structures

被引：36

作者：

Di Felice, R ^{[1
]}

Calzolari, A ^{[1
]}

Zhang, H ^{[1
]}

机构：

[1] Univ Modena, Dipartimento Fis, INFM, Natl Res Ctr Nanostruct & BioSyst Surfaces S3, I-41100 Modena, Italy

来源：

NANOTECHNOLOGY | 2004年 / 15卷 / 09期

关键词：

D O I：

10.1088/0957-4484/15/9/025

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

We present an overview of ab initio plane-wave density functional theory calculations performed on DNA-based model complexes and realistic helices. After elucidating the predictions concerning the effects of hydrogen pairing and stacking interactions on the formation of dispersive energy bands and delocalized orbitals, we focus our attention on metal-nucleotide coupling and hybridization. The latter effects are currently explored as a factor that may enhance DNA conductivity.

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页码：1256 / 1263

页数：8

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