The thermodynamic parameters derived material [1,5-b] tetrazolo [1,2,4] Terry inflorescences (TTA) with boron nitride nano- cages in different conditions of temperature , density functional theory method.

Journal Title: International Journal of new Chemistry - Year 2015, Vol 2, Issue 4

Abstract

In this study the reaction of the derivative , material [1,5-b] tetrazolo [1,2,4] Terry inflorescences (TTA) with boron nitride nano- cages in different conditions of temperature , density functional theory methods were studied . For this purpose, the material on both sides were geometrically optimized reaction , then the calculation of the thermodynamic parameters were performed on all of them . The values ​​of ΔH, ΔG, ΔS the reaction at different temperatures for different products together, these parameters in the raw material is obtained . And finally, the best temperature for the synthesis of derivatives of explosives, according to the results of thermodynamic parameters were evaluated .

Authors and Affiliations

Leila Shemshaki; Roya Ahmadi

Keywords

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  • EP ID EP46148
  • DOI -
  • Views 234
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How To Cite

Leila Shemshaki; Roya Ahmadi (2015). The thermodynamic parameters derived material [1,5-b] tetrazolo [1,2,4] Terry inflorescences (TTA) with boron nitride nano- cages in different conditions of temperature , density functional theory method.. International Journal of new Chemistry, 2(4), -. https://europub.co.uk/articles/-A-46148