Electron correlated and density function
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Naoto Shimizu; Satoyuki Kawano; Masanori Tachikawa
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Article
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2005
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Elsevier Science
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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