Volume 5, Issue 1

The Effect of B12N12 Substitution on the Properties of TEX Energetic Materials in Different Temperature Conditions: A DFT Study

Jalali Sarvestani, Mohammad Reza؛ Boroushaki, Tahereh؛ Ezzati, Mehdi (Iranian Chemical Science and Technologies Association, 2018-01-01)

In this study the synthesis of the derivative of boron nitride nano- cages with energetic material (TEX) in different conditions of temperature, density functional theory methods were studied. For this purpose, the material ...
Computational Study of the Mass, Volume and Surface Effects on the Energetic Properties of RDX Derivatives with Different Fullerenes (C20, C24 and C60)

Pourkarim, Somayeh؛ Shahzad, Hamideh (Iranian Chemical Science and Technologies Association, 2018-01-01)

In this study derivatives of energetic matter RDX with Fullerenes has different carbon in different temperature conditions, by Using density functional theory Were studied. For this purpose, at the first, the materials ...