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JOURNALS // Izvestiya of Saratov University. Physics // Archive

Izv. Sarat. Univ. Physics, 2013 Volume 13, Issue 2, Pages 39–45 (Mi isuph171)

Physics

System’s analysis of vibrational spectra in dimmers of 5X-substituted uracile

P. M. Elkina, V. F. Pulina, V. I. Berezinb

a Yuri Gagarin State Technical University of Saratov
b Saratov State University

Abstract: On based of method DFT/b3LYP for parameters of adiabatic potential for the substituted 5X-uraciles (X = CH$_3$, NH$_2$, F, Cl) the theory of characteristic vibration for monomers and dimmers for the regarded class biomolecules are constructed. The indications of spectral identification for dimmers with strong hydrogen bonds are revealed.

Keywords: vibrational spectra, dimmers of 5X-substituted uraciles, parameters of adiabatic potential.

UDC: 539.193/.194;535/.33/34



© Steklov Math. Inst. of RAS, 2024