The potential energy surface along the hydrogen-bonded proton transfer between the Watson-Crick (WC) adenine-thymine (A-T) base pair of deoxyribonucleic acid (DNA) and its tautomeric structures is calculated with 6-31G(d,p) basis set in Hartree-Fock (HF), density functional theory with Becke's three
A quantum chemical study of the effect of Na+ on the hydrogen bonds in the adenine-thymine base-pair
โ Scribed by Pavel Hobza; Camille Sandorfy
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 738 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0301-4622
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