The investigation of different properties of Sarin: A theoretical study

Subject Areas : Journal of Physical & Theoretical Chemistry

Received: 2014-06-02 Accepted : 2014-06-02 Published : 2013-10-01

Keywords: Sarin, Quantum Mechanic, Chemical warfare,

Abstract :

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.

References:

Sepration and determination trace amount of cadmium ions in real and water samples by cloud point extraction - flame atomic absorption spectrophotometry after preconcentration with non-ionic surfactant Triton-X114
Print Date : 2018-01-01
QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
Print Date : 2023-03-01
Electroanalysis of Trace Amount Hg2+ Ion in Water Samples Using Sensor Co3O4-CeO2-ZnO/CPE and Square Wave Anodic Stripping Voltammetry (SWASV) Method
Print Date : 2022-02-01
Ultrasonic Assisted Removal of humic acids (HAs) from aqueous solutions on Uultrasonically polysulfone/ X% Fe2O3 mixed matrix membrane, An Experimental Design Methodology
Print Date : 2022-10-01
Investigation of Silicon Nanowires Roles in Solar Cells
Print Date : 2022-10-01
Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices
Print Date : 2016-11-01

Share To

Article Url

The investigation of different properties of Sarin: A theoretical study