CASPIAN JOURNAL
MANAGEMENT AND HIGH TECHNOLOGIES
The computation of vibrational dynamic for polyacrylonitrile
Read | 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.