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Laibin Zhang and Tingqi Ren Distinguishing yy-G tautomers by their spectroscopic signatures: A theoretical investigation International Journal of Quantum Chemistry 113

Article first published online: 2 JUL 2012 | DOI: 10.1002/qua.24267

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yy-Bases are among the size-expanded synthetic nucleobases that have been recently synthetized. Helices formed by such bases are found to be more thermally stable than those of analogous sequences of natural DNA, due to their large aromatic surfaces, which give rise to enhanced π–π stacking interactions and hydrophobicity. The excited-state properties and absorption and emission spectra of the yyG base and its five possible tautomers are studied in this article to aid the interpretation of future experimental data.

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