CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

The computation of vibrational dynamic for polyacrylonitrile

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The computation of vibrational dynamic for polyacrylonitrile  // Caspian journal : management and high technologies. — 2009. — №4. — pp. 27-32.

On the example of polyacrylonitrile the scheme of calculation of vibrational spectra for polymers by DFT/B3LYP methods is described.

Key words: double perovskites,Hopfield net,neural network,Ising model,antisite defects,degree of disorder,magnetic properties,SFMO,PFN.