The investigation of different properties of Sarin: A theoretical study
الموضوعات : Journal of Physical & Theoretical Chemistry
Z. Yousefian
1
(-)
K. Zare
2
(-)
الکلمات المفتاحية: Sarin, Quantum Mechanic, Chemical warfare,
ملخص المقالة :
At the present study, different properties of Sarin with the formula [(CH3)2CHO]CH3POF was studiedin gas phase. Geometrical optimizations of Sarin, single point calculation, NMR and Electricalparameters were carried out in gas phase with the Hartee -Fock method coupled to 6-31g* basis setsfor all atoms. The results obtained from a comparison between tables and charts came up fordiscussion and analysis.
