4.8 Article

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

Journal

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 129, Issue 37, Pages 11360-+

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/ja0746417

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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.

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