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Quantum chemical studies of solvent effects on cytosine tautomers

✍ Scribed by V. Sathyabama; K. Anandan; R. Kanagaraju

Book ID
108285915
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
224 KB
Volume
897
Category
Article
ISSN
0166-1280

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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