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Small organic fulminates as high energy materials. Fulminates of acetylene, ethylene, and allene

  • William R. Martin
  • , David W Ball

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The minimum-energy structures and thermodynamic properties of small organic fulminate molecules have been explored. The results show that while these compounds have an impressive specific energy of decomposition, other parameters like detonation pressures and velocities are less so.
Original languageEnglish
Pages (from-to)70-79
Number of pages10
JournalJournal of Energetic Materials
Volume37
Issue number1
DOIs
StatePublished - Jan 2 2019

Keywords

  • Ab initio calculations
  • computational chemistry
  • high energy density materials
  • organic fulminates

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