The investigation of different properties of Sarin: A theoretical study

Document Type : Research Paper

Authors

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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.

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