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Structures and Energies of Hydrogen-Bonded DNA Base Pairs. A Nonempirical Study with Inclusion of Electron Correlation

✍ Scribed by Šponer, Jiří; Leszczynski, Jerzy; Hobza, Pavel


Book ID
120280750
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
417 KB
Volume
100
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