CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

Conformational models and spectral indications for tabun and it complex with water

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Conformational models and spectral indications for tabun and it complex with water  // Caspian journal : management and high technologies. — 2011. — №1. — pp. 42-48.

An analysis of vibrational spectra and conformational structure for tabun (GA-agent) and its complex with water is carried out by the method DFT/B3LYP. The indications of spectral identification are suggested.

Key words: vibrational spectra,tabun,conformational structure.