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Collect. Czech. Chem. Commun. 2009, 74, 57-72
https://doi.org/10.1135/cccc2008149
Published online 2009-01-22 17:12:05

Stability, polarity, intramolecular interactions and π-electron delocalization for all eighteen tautomers rotamers of uracil. DFT studies in the gas phase

Ewa D. Raczyńskaa,*, Katarzyna Zientarab, Tomasz M. Stępniewskib and Katarzyna Kolczyńskab

a Department of Chemistry, Warsaw University of Life Sciences, 02-776 Warszaw, Poland
b Interdisciplinary Department of Biotechnology, Warsaw University of Life Sciences, 02-726 Warsaw, Poland

Crossref Cited-by Linking

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  • Gad Shaimaa F., El-Demerdash Safinaz H., El-Mehasseb Ibrahim M., El-Nahas Ahmed M.: Structure, stability and conversions of tautomers and rotamers of azulene-based uracil analogue. Journal of Molecular Structure 2019, 1182, 271. <https://doi.org/10.1016/j.molstruc.2019.01.020>
  • Zhang Jian, Li Xiu: The effect of water-mediated catalysis on the intramolecular proton-transfer reactions of the isomers of 5-chlorouracil: a theoretical study. Acta Crystallogr C Struct Chem 2019, 75, 554. <https://doi.org/10.1107/S2053229619004856>
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  • Krygowski Tadeusz M., Szatylowicz Halina, Stasyuk Olga A., Dominikowska Justyna, Palusiak Marcin: Aromaticity from the Viewpoint of Molecular Geometry: Application to Planar Systems. Chem. Rev. 2014, 114, 6383. <https://doi.org/10.1021/cr400252h>
  • Stasyuk Olga A., Szatylowicz Halina, Krygowski Tadeusz M.: Tautomerisation of thymine acts against the Hückel 4N + 2 rule. The effect of metal ions and H-bond complexations on the electronic structure of thymine. Org. Biomol. Chem. 2014, 12, 6476. <https://doi.org/10.1039/C4OB00964A>
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