Explosives properties of high energetic trinitrophenyl nitramide molecules: A DFT and AIM analysis
The high level density functional theory, B3LYP, was proposed for the derivatives of energetic molecule Trinitrophenyl Nitramide [TNPN]: MTNPN, ETNPN and NETNPN respectively, in order to understand its explosive characteristics. The geometrical analysis has been studied from both the polarized, 6-31...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-07-01
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| Series: | Arabian Journal of Chemistry |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535216301678 |