CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

Modelling of structure and oscillatory spectra monomers and dimers of malonic acid

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Modelling of structure and oscillatory spectra monomers and dimers of malonic acid  // Caspian journal : management and high technologies. — 2009. — №4. — pp. 39-46.

Modelling calculations of vibrational spectra of malonic acid is carried out. It is shown that interpretation of vibrational spectra of malonic fragment is necessary to consider anharmanic resonances. The technique of such a calculation for malonic acids is offered.

Key words: vibrational spectra,phenylphosphine,phenyldichlorphosphine,anharmonic constants,Fermi resonance.