parameters of adiabatic potential

System’s Analysis of Vibrational Spectra in Dimmers of 5X-Substituted Uracile

Authors: El’kin P. M., Pulin V. F., Berezin V. I.

On based of method DFT/b3LYP for parameters of adiabatic potential for the substituted 5X-uraciles (X = CH3, NH2, 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.

Structural-dinamics Models and Spectral Identification of Monohydroxysubstituted Flavone

Authors: El’kin P. M., Shagautdinova I. T., Pulin V. F.

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.