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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2020-06-01
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| Series: | International Journal of New Chemistry |
| Subjects: | |
| Online Access: | http://www.ijnc.ir/article_38406.html |