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Theoretical analysis of vibrational spectra of tautomeric purine forms |
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| Authors: | P. M. Él’kin O. V. Pulin E. A. Dzhalmukhambetova |
| Affiliation: | (1) Saratov State Technical University, 77 Politekhnicheskaya St., Saratov, 410054, Russia |
| Abstract: | A theoretical analysis of vibrational spectra of purine tautomers was carried out using the DFT/B3LYP/6-31G(d)* method. The influence of intermolecular interaction in purine dimers was estimated. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 1, pp. 23–27, January–February, 2008. |
| Keywords: | vibrational spectra purine tautomer dimer resonance effects anharmonicity of vibrations hydrogen bond |
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