Abstract
AbstractEmpirical methods have been developed to predict density and heat of formation of proposed high explosives. These methods are parameterized in terms of molecular constituents consisting of atoms in particular bonding environments. These methods, along with the atomic composition of the molecule, are then used in an empirically based method to predict the performance of the explosive.Together, these methods form a unified mechanism of relating molecular structure to explosive performance. Indeed, this effort, along with the synthesis effort at Los Alamos, have led to the identification of a new class of high-nitrogen molecules that may prove to be high performance explosives.
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