The study of the canonical Watson-Crick DNA base pairs by Moller-Plesset perturbation method: the nature of their stability

• Published in: Біополімери і клітина
• Date: 2004
• Main Authors: Danilov, V.I., Anisimov, V.M.
• Format: Article
• Language: English
• Published: Інститут молекулярної біології і генетики НАН України 2004
• Subjects: Ювілеї
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/154993
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: The study of the canonical Watson-Crick DNA base pairs by Moller-Plesset perturbation method: the nature of their stability / V.I. Danilov, V.M. Anisimov // Біополімери і клітина. — 2004. — Т. 20, № 1-2. — С. 71-76. — Бібліогр.: 26 назв. — англ.

Gas-phase gradient optimization was carried out on the canonical Watson-Crick DNA base pairs using the second-order Moller-Plesset (MP2) perturbation method at the 6-31G* and 6-31G*(0.25) basis sets. It is detected that full geometry optimization at the MP2 level leads to an intrinsically nonplanar...