Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research
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 thei...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2007-12-01
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| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1422-0067/8/12/1234/ |
| _version_ | 1811332851686178816 |
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| author | Patricia Honea Jerzy Leszczynski Leonid Gorb Lyssa Taylor Brett Moore Mohammad M. Qasim |
| author_facet | Patricia Honea Jerzy Leszczynski Leonid Gorb Lyssa Taylor Brett Moore Mohammad M. Qasim |
| author_sort | Patricia Honea |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-13T16:43:18Z |
| format | Article |
| id | doaj.art-eb934b7bf6cc4dcfb3a226d4cf36d70f |
| institution | Directory Open Access Journal |
| issn | 1422-0067 |
| language | English |
| last_indexed | 2024-04-13T16:43:18Z |
| publishDate | 2007-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-eb934b7bf6cc4dcfb3a226d4cf36d70f2022-12-22T02:39:09ZengMDPI AGInternational Journal of Molecular Sciences1422-00672007-12-018121234126410.3390/i8121234Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic ResearchPatricia HoneaJerzy LeszczynskiLeonid GorbLyssa TaylorBrett MooreMohammad M. QasimAlthough 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.http://www.mdpi.com/1422-0067/8/12/1234/nitroaromatic / nitramine explosivesstructural / activity relationshipsdegradation mechanisms |
| spellingShingle | Patricia Honea Jerzy Leszczynski Leonid Gorb Lyssa Taylor Brett Moore Mohammad M. Qasim Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research International Journal of Molecular Sciences nitroaromatic / nitramine explosives structural / activity relationships degradation mechanisms |
| title | Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research |
| title_full | Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research |
| title_fullStr | Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research |
| title_full_unstemmed | Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research |
| title_short | Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research |
| title_sort | structural characteristics and reactivity relationships of nitroaromatic and nitramine explosives a¢a€a a review of our computational chemistry and spectroscopic research |
| topic | nitroaromatic / nitramine explosives structural / activity relationships degradation mechanisms |
| url | http://www.mdpi.com/1422-0067/8/12/1234/ |
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