Abstract
We have performed quantum-mechanical calculations of the two-photon absorption spectra of three tautomeric forms of adenine in the gas phase and of four forms in the aqueous solution. Based on a comparison of the results of these calculations with experimental data, the occurrence of three structures, Ade-N9,N1H+, Ade-N9H (am), and Ade-N7H(am), in aqueous solution of adenine has been confirmed.
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