DNA-like “Melting” of Adenine- and Thymine-Functionalized Synthetic Copolymers
✍ Scribed by Lutz, Jean-François; Thünemann, Andreas F.; Rurack, Knut
- Book ID
- 127173245
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 72 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0024-9297
No coin nor oath required. For personal study only.
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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
Gradient-corrected density functional computations with triplezeta-type basis sets were performed to determine the preferred protonation site and the absolute gas-phase proton affinities of the most stable tautomer of the Ž . Ž . Ž . Ž . DNA bases thymine T , cytosine C , adenine A , and guanine G .