Metal-mediated J coupling in DNA base pairs:: Relativistic DFT predictions

被引：42

作者：

Bagno, Alessandro ^{[1
]}

Saielli, Giacomo

机构：

[1] Univ Padua, Dept Chem, I-35131 Padua, Italy

[2] CNR, Inst Membrane Technol, Padova Sect, I-35131 Padua, Italy

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2007年 / 129卷 / 37期

关键词：

D O I：

10.1021/ja0746417

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Relativistic DFF calculations of NMR properties (metal-mediated J (NN) couplings) support the proposed coordination motif of Hg(II) to DNA bases and allow for predictions of other useful NMR parameters.

引用

页码：11360 / +

页数：3

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