Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 21(19), p. 13496-13502
DOI: 10.1039/c7cp00397h
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The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A–T and A–U base pairs
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Abstract
In the present study, we have theoretically analyzed supramolecular complexes based on the Watson–Crick A–T and A–U base pairs using dispersion-corrected density functional theory (DFT).