Izvestiya of Saratov University.
ISSN 1817-3020 (Print)
ISSN 2542-193X (Online)

внутримолекулярное взаимодействие

Structural-dinamics Models and Spectral Identification of Monohydroxysubstituted Flavone

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.

Interpretaion of Vibrational State for Trinitrophenol Isomers and Conformers

On the base of modeling calculations of geometric and electronic structure for trinitrophenol the interpretation of vibrational spectra are propoused.

Vibrational Spectra and Structure of Spinohromes

Modeling calculations of geometric structure and vibrational spectra for spinazarin, ethylspinazarin, echinochrom is carried.