JOURNAL OF HAZARDOUS MATERIALS, vol.169, pp.454-459, 2009 (SCI-Expanded)
Article / Article
JOURNAL OF HAZARDOUS MATERIALS
Science Citation Index Expanded (SCI-EXPANDED), Scopus
Spark sensitivity, Explosives, Nitro compounds, Nitramines, SEMIEMPIRICAL METHODS, DENSITY, OPTIMIZATION, PARAMETERS, INITIATION
Middle East Technical University Affiliated:
Spark sensitivity of explosives is an important subject. Presently, some correlations are sought between the spark sensitivity and certain molecular orbital characteristics of some nitramine type explosives. For that purpose certain semi-empirical and DFT calculations have been carried out. Investigations have revealed that the nitramines considered undergo decomposition in the electric field mainly via their anionic states. (C) 2009 Elsevier B.V. All rights reserved.