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Maria Belén Márquez and Silvia Antonia Brandán A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases International Journal of Quantum Chemistry 114

Article first published online: 19 SEP 2013 | DOI: 10.1002/qua.24545

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Structural studies of nucleosides and nucleotides constitute a viable step in the acquisition of a better understanding of biochemical reactions involving viruses and rational drug design. This work carries out a structural and vibrational study on the antiviral deoxyribonucleoside thymidine in gas and aqueous solution phases by combining the available IR and Raman spectra with quantum chemical calculations. Three stable conformers for the molecule are determined, and complete assignments of the vibrational spectra are performed.

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