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What Shall We Do with the Computed Detonation Performance? Comment on “1,3,4‐Oxadiazole Bridges: A Strategy to Improve Energetics at the Molecular Level”
Author(s) -
Muravyev Nikita V.
Publication year - 2021
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.202104041
Subject(s) - detonation , variation (astronomy) , energetics , oxadiazole , computational chemistry , materials science , chemistry , computer science , thermodynamics , physics , organic chemistry , explosive material , astrophysics
In this Correspondence, a question is raised on how confident are the computed detonation performance values. Consideration of the energetic materials in a recent Research Article in this journal and some other newly synthesized promising compounds shows that the variation between the available methods of calculation is surprisingly high.

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