Title of article :
The investigation of different properties of Sarin: A theoretical study
Author/Authors :
Yousefian, Z Department of Chemistry - College of Basic Sciences - Tehran Science and Research Branch - Islamic Azad University, Tehran , Zare, K Department of Chemistry - College of Basic Sciences - Tehran Science and Research Branch - Islamic Azad University, Tehran
Abstract :
At the present study, different properties of Sarin with the formula [(CH3)2CHO]CH3POF was studied
in gas phase. Geometrical optimizations of Sarin, single point calculation, NMR and Electrical
parameters were carried out in gas phase with the Hartee -Fock method coupled to 6-31g* basis sets
for all atoms. The results obtained from a comparison between tables and charts came up for
discussion and analysis.
Keywords :
Sarin , Quantum Mechanic , Chemical warfare
Journal title :
Astroparticle Physics
