P. M. Elkin, A. S. Kladieva, I. I. Gordeev, “Vibrational spectra фnd structural dinamic models of GB-,GD-, GF-Agents”, Izv. Sarat. Univ. Physics, 2008, Volume 8, Issue 1,Pages <nobr>29

Physics

Vibrational spectra фnd structural dinamic models of GB-,GD-, GF-Agents

P. M. Elkin^a, A. S. Kladieva^b, I. I. Gordeev^b

^a Saratov State Technical University named after Yuri Gagarin
^b Astrakhan State University

Abstract: An analysis of vibrational spectra of sarine, sorine, cyclosarine (GA-, GB-,GD-, GF-Agents) is carried out by the method DFT/B3LYP in the anharmonic approximation. It is possible to use the second order of anharmonic theory of vibrational spectra for the predictional calculation in phosphororganical compounds.

Keywords: phosphororganical compounds, vibrational spectra.

UDC: 539.194

Received: 05.02.2008

DOI: 10.18500/1817-3020-2008-8-1-29-36