New potential high energy materials: Diazocyclopropanes

Journal of Molecular Structure: THEOCHEM

Volumn 715, Issue 1-3, 2005, Pages 151-155

  Kapur, Nina ^a   Ball, David W ^a  

^a CLEVELAND STATE UNIVERSITY   (United States)

Author keywords

ab initio calculations; Diazocyclopropane; High energy compounds

Indexed keywords

PROPANE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; ELECTRIC POTENTIAL; ENERGY; MATERIALS; PHYSICAL CHEMISTRY; SUBSTITUTION REACTION;

EID: 13944270731     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.10.068     Document Type: Article

References (17)

1. G.A. Olah D.R. Squire Chemistry of Energetic Materials 1991 Academic Press San Diego, CA
2. P.W. Cooper S.R. Kurowski The Technology of Explosives 1996 Wiley New York
3. J.P. Agrawal Prog. Energy Combust. Sci. 24 1998 1
4. P.E. Eaton, R.L. Gilardi, and M.-X. Zhang Adv. Mater. 12 2000 1143
5. D.W. Ball J. Phys. Chem. 105 2001 465
6. D.W. Ball J. Mol. Struct. - THEOCHEM 619 2002 37
7. G. Corkran, and D.W. Ball J. Mol. Struct. - THEOCHEM 668 2004 203
8. D.W. Ball. Unpublished results.
9. P. Bladon, D.R. Rae, and A.D. Tait J. Chem. Soc. Perkin Trans. 1 1974 1468
10. P. Bladon, and D.R. Rae J. Chem. Soc. Perkin Trans. 1 1974 2240
11. D.R. Rae J. Chem. Soc. Perkin Trans. 1 1975 2460
12. M.A. McAllister, and T.T. Tidwell J. Am. Chem. Soc. 114 1992 5362
13. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, and J.A. Pople, GAUSSIAN 98, Revision A.11, Gaussian, Inc., Pittsburgh, PA, 2001.
14. T.H. Dunning Jr. J. Chem. Phys. 53 1970 2823
15. C.B. Moore, and G.C. Pimentel J. Chem. Phys. 40 1964 329
16. C.B. Moore, and G.C. Pimentel J. Chem. Phys. 40 1964 342
17. Enthalpies of formation taken from the NIST Chemistry Webbook, http://webbook.nist.gov/chemistry/. Accessed July 2004.