Int. J. Mol. Sci. 2007, 8(12), 1234-1264; doi:10.3390/i8121234
Article

Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research

Received: 14 November 2007; in revised form: 27 November 2007 / Accepted: 30 November 2007 / Published: 13 December 2007
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract: Although much has been discovered, discussed and written as to problems ofcontamination by various military unique compounds, particularly by the nitrogen basedenergetics (NOCs), remaining problems dictate further evaluation of actual and potentialrisk to the environment by these energetics and their derivatives and metabolites throughdetermination of their environmental impact—transport, fate and toxicity. This workcomprises an effort to understand structural relationships and degradation mechanisms ofcurrent and emerging explosives, including nitroaromatic; cyclic and cage cyclic nitramine;and a nitrocubane. This review of our computational chemistry and spectroscopic researchdescribes and compares competitive degradation mechanisms by free radical oxidative,reductive and alkali hydrolysis, relating them, when possible, to environmental risk.
Keywords: nitroaromatic / nitramine explosives; structural / activity relationships; degradation mechanisms
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MDPI and ACS Style

Qasim, M.M.; Moore, B.; Taylor, L.; Gorb, L.; Leszczynski, J.; Honea, P. Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research. Int. J. Mol. Sci. 2007, 8, 1234-1264.

AMA Style

Qasim MM, Moore B, Taylor L, Gorb L, Leszczynski J, Honea P. Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research. International Journal of Molecular Sciences. 2007; 8(12):1234-1264.

Chicago/Turabian Style

Qasim, Mohammad M.; Moore, Brett; Taylor, Lyssa; Gorb, Leonid; Leszczynski, Jerzy; Honea, Patricia. 2007. "Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research." Int. J. Mol. Sci. 8, no. 12: 1234-1264.

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