Studies on proton transfers in water clusters and DNA base pairs
✍ Scribed by Young Shik Kong; Mu Shik Jhon; Per-Olov Löwdin
- Book ID
- 104582299
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 690 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Single and multiple proton transfers betweeu the bases guanine and cytosine and between adenine and thymine are studied usiug the LCAO SCF all-electron PRDDO method. Single proton transfers are found to lead to singkweli potentials while double transfers are characterized by double-well potentials.
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