Characterization of High Explosives and Other Energetic Compounds by Computational Chemistry and Molecular Modeling: Experiments for Undergraduate Curriculum

Experiments suited for the undergraduate instructional laboratory in which the heats of formation of several aliphatic and aromatic compounds are calculated, are described. The experiments could be used to introduce students to commercially available computational chemistry and its thermodynamics, w...

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Veröffentlicht in:Journal of chemical education 2007-02, Vol.84 (2), p.329
Hauptverfasser: Bumpus, John A, Lewis, Anne, Stotts, Corey, Cramer, Christopher J
Format: Artikel
Sprache:eng
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Zusammenfassung:Experiments suited for the undergraduate instructional laboratory in which the heats of formation of several aliphatic and aromatic compounds are calculated, are described. The experiments could be used to introduce students to commercially available computational chemistry and its thermodynamics, while assess and compare the energy content of high explosives.
ISSN:0021-9584