Correlation between sensitivity and approximated heats of detonation of several nitroamines using quantum mechanical methods

Storage, synthesis, and application of energetic materials is significantly impacted by the fundamental property of sensitivity. The method of storage and handling is affected by the sensitive nature of the explosive. Possessing the ability to predict the sensitivity of energetic material candidates before expensive synthesis is begun would be an asset. Also, predicting the applications of various energetic compounds before synthesis and testing can be made possible with the aid of sensitivity predictions. Quantum mechanical methods are applied to approximating the heat of detonation. Correlation between heat of detonation and impact sensitivity is examined. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004