DFT Study on Non-reversible Expansion of TATB Crystal
Zhang CHAOYANG, Shu YUANJIE, Zhao XIAODONG and Dong HAISHAN
Keywords: TATB crystal, non-reversible expansion, DFT
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Author: Katarzyna Krajewska
CEJEM, Vol 1 Nr 1, 2004
Numerical Modeling of Self-Ignition of Energetic Materials
Numerical Modeling of Self-Ignition of Energetic Materials
Muhamed SUĆESKA and Sanja MATEČIĆ MUŠANIĆ
Keywords: energetic materials, self-ignition, thermal explosion, numerical modeli
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CEJEM, Vol 1 Nr 1, 2004
Relationship between Electronic Charges at Nitrogen Atoms of Nitro Groups and Onsets of Thermal Decomposition of Polynitro Arenes
Relationship between Electronic Charges at Nitrogen Atoms of Nitro Groups and Onsets of Thermal Decomposition of Polynitro Arenes
Svatopluk ZEMAN, Zdeněk FRIEDL
Keywords: DTA, ab initio DFT B3LYP/6-31G, thermal decomposition, polynitro arenes
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