Some Computationally-Predicted Properties of a Group of Proposed Energetic Compounds.
NEW ORLEANS UNIV LA DEPT OF CHEMISTRY
Pagination or Media Count:
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.
- Physical Chemistry