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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

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📜 SIMILAR VOLUMES


Theoretical study of proton transfers be
✍ Steve Scheiner; C.W. Kern 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 177 KB

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.

Electron correlated and density function
✍ Naoto Shimizu; Satoyuki Kawano; Masanori Tachikawa 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 498 KB

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