Relativistic DFT 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.
Metal-Mediated J-Coupling in DNA Base Pairs: Relativistic DFT Predictions
BAGNO, ALESSANDRO;G. SAIELLI
2007
Abstract
Relativistic DFT 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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