CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

Structurally-dynamic models of products of hydrolysis cyclosarine

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Structurally-dynamic models of products of hydrolysis cyclosarine  // Caspian journal : management and high technologies. — 2010. — №3. — pp. 51-58.

Within the limits of a hybrid method of functional density DFT/b3LYP mo-efficient calculations of geometrical structure and oscillatory conditions of a product the guide-roliza cyclosarine – cyclohexylmethyphosphonic acids (CMPA) are executed. Comparison of oscillatory spectra of connections is made for revealing possibilities of optical identification in technological process of cyclosarine destruction.

Key words: cyclosarine,cyclohexylmethyphosphonic acid,vibrational spectra,structural models.