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Quantum-chemical calculation of electrooptical properties of vanillin tautomers

โœ Scribed by S. G. Semenov; M. V. Makarova


Book ID
114993594
Publisher
Springer
Year
2012
Tongue
English
Weight
152 KB
Volume
82
Category
Article
ISSN
1070-3632

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Systematic quantum chemical study of DNA
โœ M. Piacenza; S. Grimme ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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