Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT QM and QTAIM computational approaches

Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT : QM and QTAIM computational approaches

Copyright © 2013 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 34(2013), 30 vom: 15. Nov., Seite 2577-90
1. Verfasser: Brovarets', Ol'ha O (VerfasserIn)
Weitere Verfasser: Hovorun, Dmytro M
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2013
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't B3LYP and MP2 levels of QM theory QTAIM analysis ·Grunenberg's compliance constant amino and imino tautomers of cytosine cooperativity of the H-bonds keto and enol tautomers of thymine mutagenic tautomerization spontaneous point mutations in DNA sweeps of the energetic, electron-topological, geometric and polar parameters along the IRC mehr... the double proton transfer van der Waals contact Protons Cytosine 8J337D1HZY DNA 9007-49-2 Thymine QR26YLT7LT
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