CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

Modelling of intermolecular interaction of carboxylic acids in dimmers

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Modelling of intermolecular interaction of carboxylic acids in dimmers  // Caspian journal : management and high technologies. — 2009. — №1. — pp. 52-59.

Possibilities of computer technology “Gaussian” are explored for modeling parameters of adiabatic potential in dimers of the row of carboxylic acids in unharmonic approach.

Key words: adiabatic potential,modeling of parameters,unharmonic approach,dimers of carboxylic acids.