Is the DPT tautomerization of the long A·G Watson-Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question

Is the DPT tautomerization of the long A·G Watson-Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 35(2014), 6 vom: 05. März, Seite 451-66
1. Verfasser: Brovarets', Ol'ha O (VerfasserIn)
Weitere Verfasser: Zhurakivsky, Roman O, Hovorun, Dmytro M
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2014
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 CH···N H-bond NBO parameters along the IRC NH···HC dihydrogen bond QTAIM analysis adenine·guanine (A·G) DNA base mispair amino and imino tautomers of the adenine cooperativity of the H-bonds mehr... electron-topological geometric keto and enol tautomers of the guanine polar sweeps of the energetic the double proton transfer Guanine 5Z93L87A1R Adenine JAC85A2161
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