Abstract
The monomer and dimer forms of 1, 3-dimethyluracil (1, 3-DMU) were studied by semiempirical quantum chemical methods. The stacking structure was also computed. Geometry optimization and frequency calculations were performed in all the forms. Full interpretation of the experimental spectra was carried out, with special attention in the characterization of the bands corresponding to the dimer form.
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© 1997 Springer Science+Business Media Dordrecht
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Palafox, M.A., Iza, N., Gil, M. (1997). Frequencies and Structure of the 1,3-Deimethyluracil Devier. In: Carmona, P., Navarro, R., Hernanz, A. (eds) Spectroscopy of Biological Molecules: Modern Trends. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5622-6_94
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DOI: https://doi.org/10.1007/978-94-011-5622-6_94
Publisher Name: Springer, Dordrecht
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