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
Hauptverfasser: Khakimov, Dmitry V., Pivina, Tatyana S.
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Sprache:eng
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