CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

The structural-dinamic model of tabun

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The structural-dinamic model of tabun  // Caspian journal : management and high technologies. — 2010. — №2. — pp. 59-66.

Based on the model ab initio calculations of tabun adiabatic potential the possibility of predictive calculations of optimized geometry, IR and Raman spectra of highly toxic phosphororganical nitrogen-containing compounds are demonstrated.

Key words: structural-dinamic model,vibrational spectra,tabun,DFT-methods,adiabatic potential,anharmonicity.