CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

Conformic models of molecule with five-member cycle

Read  Conformic models of molecule with five-member cycle  // Caspian journal : management and high technologies. — 2009. — №2. — pp. 74-78.

Model calculations of geometric thiofane are carried out. Noncoplanar conformation for five-member cycle of molecule is proposed.

Key words: V-gas,Vx-gas,phosphororganic compounds,adiabatic potential,molecular modeling,ab initio methods,DFT,vibration,infrared IR-spectra