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Analysis of electronic-vibrational spectra of uracil,thymine, and cytosine
Authors:G N Ten  V I Baranov
Institution:(1) Saratov State University, Saratov, 410026, Russia;(2) Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, 119991, Russia
Abstract:A theoretical analysis of absorption spectra of uracil, thymine, and cytosine—nucleic acid bases— is carried out. Structural dynamic models of these molecules in their electronically excited states are constructed. On the basis of the calculated vibrational structure of the electronic spectra, different tautomeric forms of these molecules are determined. The possibility of modeling the influence of hydrogen bonds on the electronic-vibrational spectra is shown.
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