P. M. Elkin, I. M. Umansky, E. A. Djalmuhambetova, “Modelling calculations of vibrational spectra for substituted benzoic acid”, Izv. Sarat. Univ. Physics, 2012, Volume 12, Issue 2,Pages <nobr>43

Physics

Modelling calculations of vibrational spectra for substituted benzoic acid

P. M. Elkin^a, I. M. Umansky^b, E. A. Djalmuhambetova^c

^a Saratov State Technical University
^b Saratov State Social-Economical University
^c Astrahan State University

Abstract: On the base of modeling calculations of geometric and electronic structure for substituted benzoic acid the parameters of adiabatic potential are investigated.

Keywords: vibrational spectra, benzoic acid, adiabatic potential, intermolecular interection.

UDC: 539.193/.194;535/33.34

DOI: 10.18500/1817-3020-2012-12-2-43-48