The Effect of Boron Nitride Nanocage on the Thermodynamic and Energetic Properties of TATB

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...

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Bibliographic Details
Main Authors:	S. Sepehr Uroomiye, Neda Hajizadeh, Helen Aazh
Format:	Article
Language:	English
Published:	Iranian Chemical Science and Technologies Association 2020-06-01
Series:	International Journal of New Chemistry
Subjects:	tatb ; boron nitride cage ; density functional theory ; thermodynamic parameters
Online Access:	http://www.ijnc.ir/article_38406.html

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