Articles with "stacking crystal" as a keyword



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Theoretical studies on oxadiazole-based layer stacking nitrogen-rich high-performance insensitive energetic materials

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Published in 2020 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-020-04555-6

Abstract: A series of energetic compounds derived from substituted oxadiazole molecules which were theoretically proved to have π–π stacking crystal structure using NIC method and QTAIM theory were designed and investigated theoretically as novel high-performance insensitive… read more here.

Keywords: energetic materials; insensitive energetic; performance insensitive; stacking crystal ... See more keywords