P. M. Elkin, I. T. Shagautdinova, V. F. Pulin, “Structural-dinamics models and spectral identification of monohydroxysubstituted flavone”, Izv. Sarat. Univ. Physics, 2014, Volume 14, Issue 2,Pages <nobr>22

Physics

Structural-dinamics models and spectral identification of monohydroxysubstituted flavone

P. M. Elkin^a, I. T. Shagautdinova^b, V. F. Pulin^a

^a Saratov State Technical University
^b Astrakhan State University

Abstract: On based of the calculations for parameters of adiabatic potential by method DFT/b3LYP are proposed the structural-dinamics models for monohydroxyflavones. The indications of spectral identification are revealed.

Keywords: monohydroxyflavones, vibrational spectra, parameters of adiabatic potential, intermolecular interection.

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

DOI: 10.18500/1817-3020-2014-14-2-22-29