CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

Modelling calculations of anharmonic shift of vibrational lines in spectra for carbonic acid dimmer

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Modelling calculations of anharmonic shift of vibrational lines in spectra for carbonic acid dimmer  // Caspian journal : management and high technologies. — 2010. — №4. — pp. 53-59.

Methodics of value for anharmonic shift of vibrational lines in carbonic acid dimmer is described. It is based on results of ab initio quantum calculations of anharmonic force constants.

Key words: anharmonic vibrational spectra,carbonic acid,adiabatic potential.