Systematic quantum chemical study of DNA
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M. Piacenza; S. Grimme
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Article
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2004
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John Wiley and Sons
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English
β 196 KB
The relative energies of the energetically low-lying tautomers of pyridone, cytosine, uracil, thymine, guanine, and iso-cytosine are studied by a variety of different quantum chemical methods. In particular, we employ density functional theory (DFT) using the six functionals HCTH407, PBE, BP86, B-LY