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Role of Electron-Driven Proton-Transfer Processes in the Excited-State Deactivation of the Adenine−Thymine Base Pair

✍ Scribed by Perun, Serhiy; Sobolewski, Andrzej L.; Domcke, Wolfgang

Book ID
115514727
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
324 KB
Volume
110
Category
Article
ISSN
1089-5639

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✍ 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