CASPIAN JOURNAL
MANAGEMENT AND HIGH TECHNOLOGIES
Research of intermolecular interaction in dimer of bensoic acid
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Read | Research of intermolecular interaction in dimer of bensoic acid // Caspian journal : management and high technologies. — 2009. — №3. — pp. 47-52. |
An analysis of vibrational spectra of benzoic acids is carried out by the method DFT/B3LYP. The influence of intermolecular interaction is estimated.
Key words: vibrational spectra,benzoic acid,isatin,dimer,anharmonicity,hydrogen bonding.