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A new theoretical prediction of the infrared spectra of cytosine tautomers

1992; Pergamon Press; Volume: 48; Issue: 6 Linguagem: Inglês

10.1016/0584-8539(92)80075-8

1873-3824

Ian R. Gould, Mark A. Vincent, Ian H. Hillier, Leszek Lapiński, Maciej J. Nowak,

RNA Interference and Gene Delivery

The infrared spectra of the cytosine amino-oxo and amino-hydroxy tautomers predicted theoretically at the ab initio Hartree—Fock level with a 6-31G** basis set are reported. These are compared with the experimental spectra obtained in an argon low-temperature matrix. The IR spectra computed at this level reproduce the experimental spectra closer than the previous predictions.