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Quantum-chemical study of tautomers of reduced forms of anthraquinone

✍ Scribed by Semenov, S. G.; Makarova, M. V.


Book ID
125395609
Publisher
Springer
Year
2014
Tongue
English
Weight
168 KB
Volume
84
Category
Article
ISSN
1070-3632

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Systematic quantum chemical study of DNA
✍ M. Piacenza; S. Grimme πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 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