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Nature of Bonding in Nine Planar Hydrogen-Bonded Adenine···Thymine Base Pairs

✍ Scribed by Ran, Jiong; Hobza, Pavel

Book ID
127366996
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
425 KB
Volume
113
Category
Article
ISSN
0022-3654

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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