Characterization of high explosives and other energetic compounds by computational chemistry and molecular modeling

Journal of Chemical Education

Volumn 84, Issue 2, 2007, Pages 329-332

  Bumpus, John A ^a   Lewis, Anne ^a   Stotts, Corey ^a   Cramer, Christopher J ^b  

^a UNIVERSITY OF NORTHERN IOWA   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; EXPLOSIVES; MATHEMATICAL MODELS; PHYSICAL CHEMISTRY;

ALIPHATIC COMPOUND; COMPUTATIONAL CHEMISTRY; MOLECULAR-MODELING PROCEDURES; OCTANITROCUBANE;

CURRICULA;

EID: 33846701459     PISSN: 00219584     EISSN: None     Source Type: Journal    
DOI: 10.1021/ed084p329     Document Type: Article

References (9)

1. Akhavan, J. The Chemistry of Explosives; The Royal Society of Chemistry: Cambridge, 1998; p 173.
2. Benson, S. W.; Buss, J. H. J. Chem. Phys. 1958, 29, 546.
3. Benson, S. W.; Cruickshank, F. R.; Golden, D. M.; Haugen, G. R.; O'Neal, H. E.; Rodgers, A. S.; Shaw, R.; Walsh, R. Chem. Rev. 1968, 69, 279.
4. NIST Chemistry WebBook Home Page. http://webbook.nist.gov/chemistry/ (accessed Oct 2006).
5. Lange's Handbook of Chemistry, 15th ed.; Dean, John A., Ed.; McGraw-Hill: New York, 1999; p 1424; formerly compiled and edited by Norbert Adolph Lange.
6. Pedley, J. B.; Naylor, R. D.; Kirby, S. P. Thermodynamic Data of Organic Compounds, 2nd ed.; Chapman and Hall: London, New York, 1986; p 792.
7. Kybett, B. D.; Carroll, S.; Natalis, P.; Bonnell, B. W.; Margrave, J. L.; Franklin, J. L. J. Am. Chem. Soc. 1966, 88, 3.
8. Zhang, M-X.; Eaton, P. E.; Gilardi, R. Angew. Chem., Int. Ed. Engl. 2000, 39, 401.
9. Zhang, J.; Xiao, H. J. Chem. Phys. 2002, 116, 10674.