A simple relationship of bond dissociation energy and average charge separation to impact sensitivity for nitro explosives
The bond dissociation energy (BDE) of the weakest bonds in 33 explosives were calculated and analyzed using the B3LYP method with the 6-311++G** basis set. A comparison between BDE and the impact sensitivity H50 showed that cleavage of the weakest bond plays an important role in the initiation of de...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Serbian Chemical Society
2019-01-01
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| Series: | Journal of the Serbian Chemical Society |
| Subjects: | |
| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2019/0352-51391800059M.pdf |