Towards improving the characteristics of high-energy pyrazines and their N-oxides
Context Based on the methods of quantum chemistry and atom–atom potentials, the molecular and crystal structure of a number of high-energy pyrazines was modeled: unsubstituted diazines, as well as fully nitrated 1,4-diazabenzenes, their oxides and polymorphs. The enthalpies of formation, densities o...
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Veröffentlicht in: | Journal of molecular modeling 2024-11, Vol.30 (11), p.392-392, Article 392 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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