Some Computationally-Predicted Properties of a Group of Proposed Energetic Compounds.
Abstract
We have carried out computational analyses and predictions of certain properties for a group of proposed energetic target compounds. The properties reported are: Heat of formation, 298 K, gaseous; heat of sublimation, 298 K; heat of formation, 298 K, solid; heat of fusion at melting point; heat of vaporization at boiling point; density, liquid; boiling point; impact sensitivity. Of the molecules considered, 1,3,5,7-tetranitro-2,4,6,8-tetraazacubane is particularly promising as a potential energetic compound.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 01, 1996
- Accession Number
- ADA310403
Entities
People
- M. Edward Grice
- Pat Lane
- Peter Politzer
Organizations
- University of New Orleans