CASPIAN JOURNAL
MANAGEMENT AND HIGH TECHNOLOGIES
Conformation models of sarin and soman
 |
Read | Conformation models of sarin and soman // Caspian journal : management and high technologies. — 2010. — №1. — pp. 68-76. |
The scheme for calculating the vibrational spectra of organophosphorus compound by the hybrid density functional method of DFT/B3LYP is described for sarin and soman molecules (GB- and GD-agents).
Key words: sarine,soman,vibrational spectra,structural models.