Articles with "using wiberg" as a keyword



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Trigger bond analysis of nitroaromatic energetic materials using wiberg bond indices

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Published in 2018 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.25186

Abstract: The identification of trigger bonds, bonds that break to initiate explosive decomposition, using computational methods could help direct the development of novel, “green” and efficient high energy density materials (HEDMs). Comparing bond densities in energetic… read more here.

Keywords: energetic materials; trigger bonds; using wiberg; bond ... See more keywords