Neda Hajizadeh
Department of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran
[ 1 ] - The Synthesis of 2, 6 diamino- 3, 5-dinitropyridine from Direct Nitration Reaction of 2, 6 diamino pyridine in Different Temperature Conditions by Density Functional Theory
In this article, synthesis of the explosive 2, 6 (diamino) 3, 5 dinitro pyridine (ANPY) of the direct nitration reaction of 2, 6 diamino pyridine in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then the calculation of the the...
[ 2 ] - The synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in different temperature conditions, the DFT method
In this article, synthesis of the explosive synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then th...
[ 3 ] - Determination of Magnesium (II) by a Coated Graphite Electrode Based on Risperidone as an Ionophore
In this research, a coated graphite electrode was constructed for determination of Mg2+ in pharmaceutical supplements. The designed sensor demonstrates an ideal Nernstian slope (30.1 mV. Decade-1) over a wide concentration range (1×10-6- 1×10-1 Mol L-1). The selectivity of the sensor was evaluated over 16 different cations by matched potential method and no serious interference was observed fro...
[ 4 ] - The Effect of Boron Nitride Nanocage on the Thermodynamic and Energetic Properties of TATB
In this research, IR and frontier molecular orbital computations were employed for investigating the influence of B12N12 on the energetic and thermodynamic parameters of TATB. The Computed enthalpy changes and Gibbs free energy variations showed TATB interaction with this nanostructure is exothermic, spontaneous and experimentally possible. The specific ...
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