Journal
JOURNAL OF HAZARDOUS MATERIALS
Volume 84, Issue 1, Pages 1-26Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0304-3894(01)00178-9
Keywords
performance; organic energetic compounds; prediction; velocity of detonation; oxygen balance; impact sensitivity; heat of formation; quantum mechanics
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The importance of a prediction tool increases with greater relevance for synthesis, performance and vulnerability predictions. Some important aspects of performance behaviour and their theoretical calculations, which are indispensable in recognising energetic molecules of interest, are described here. This review also discusses on factors influencing sensitivity and overall stabilities of organic energetic compounds especially on nitroaromatics and nitramines, and exceptions to this relationship suggest other factors playing roles in specific instances. (C) 2001 Elsevier Science B.V. All rights reserved.
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