메뉴 건너뛰기




Volumn 16, Issue 5, 2005, Pages 495-515

Prediction of CL-20 chemical degradation pathways, theoretical and experimental evidence for dependence on competing modes of reaction

Author keywords

Alkaline hydrolysis; CL 20; Competing degradation mechanisms; Photochemical degradation; Spectroscopy; Theoretical prediction

Indexed keywords

ALKALINITY; AROMATIC COMPOUNDS; BYPRODUCTS; DEGRADATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; FREE RADICALS; HYDROLYSIS; MOLECULAR ORBITALS; REACTION KINETICS;

EID: 30944453490     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10659360500320453     Document Type: Article
Times cited : (18)

References (30)
  • 4
    • 85195090445 scopus 로고    scopus 로고
    • Degradation of the explosive CL-20 and influence of aging in subsurface environments
    • paper presented, Washington, D.C., 30 November-2 December
    • J. Szecsody, D. Girvin, M. Qasim. Degradation of the explosive CL-20 and influence of aging in subsurface environments, paper presented at the Partners in Environ. Tech. Symp. and Workshop, Washington, D.C., 30 November-2 December (2004).
    • (2004) Partners in Environ. Tech. Symp. and Workshop
    • Szecsody, J.1    Girvin, D.2    Qasim, M.3
  • 15
    • 85195028426 scopus 로고    scopus 로고
    • An approximation method, study and comparison of the chemical and physical properties of CL-20 & RDX for prediction of reactivities, poster presented, Jackson, MS, November
    • M. Qasim, B. Fleming, L. Hansen, R. Bajpai. An approximation method, study and comparison of the chemical and physical properties of CL-20 & RDX for prediction of reactivities, poster presented at the 10th CCTCC, Jackson, MS, November (2001).
    • (2001) 10th CCTCC
    • Qasim, M.1    Fleming, B.2    Hansen, L.3    Bajpai, R.4
  • 16
    • 85195080929 scopus 로고    scopus 로고
    • Computer chemistry investigation of CL-20 & RDX degradation to less toxic intermediates, poster presented, 2-4 June
    • M. Qasim, B. Fleming, H. Frederickson, C. McGrath, R. Bajpai. Computer chemistry investigation of CL-20 & RDX degradation to less toxic intermediates, poster presented at the SETAC Midsouth Region Ann. Meeting, 2-4 June (2002).
    • (2002) SETAC Midsouth Region Ann. Meeting
    • Qasim, M.1    Fleming, B.2    Frederickson, H.3    McGrath, C.4    Bajpai, R.5
  • 17
    • 85195021534 scopus 로고    scopus 로고
    • CL-20 chemical degradation pathways depend on competing modes of reaction, poster presented, Washington, D.C., 30 November-2 December
    • M. Qasim, H. Fredrickson, J. Furey, P. Honea, J. Szecsody. CL-20 chemical degradation pathways depend on competing modes of reaction, poster presented at the Partners in Environ. Tech. Symp. & Workshop, Washington, D.C., 30 November-2 December (2004).
    • (2004) Partners in Environ. Tech. Symp. & Workshop
    • Qasim, M.1    Fredrickson, H.2    Furey, J.3    Honea, P.4    Szecsody, J.5
  • 18
    • 85195078015 scopus 로고    scopus 로고
    • Using CL-20 as the model. UV/VIS/FTIR spectrophotometry supports theoretical predictions as to initial/intermediate steps in chemical transformation of cyclic and cage cyclic nitramines
    • paper presented, Orange Beach, AL, 26-27 March
    • M. Qasim, H. Fredrickson, J. Furey, C. McGrath. Using CL-20 as the model. UV/VIS/FTIR spectrophotometry supports theoretical predictions as to initial/intermediate steps in chemical transformation of cyclic and cage cyclic nitramines, paper presented at the 4th SSCC, Orange Beach, AL, 26-27 March (2004).
    • (2004) 4th SSCC
    • Qasim, M.1    Fredrickson, H.2    Furey, J.3    McGrath, C.4
  • 19
    • 85195076813 scopus 로고    scopus 로고
    • Theoretical predictions of chemical degradation reaction mechanisms of cyclic (RDX, HMX) and cage cyclic (CL-20, ONC, TNTAC) nitramines as related to their molecular structures with experimental verification using CL-20 as model, poster presented, Washington, DC, December
    • M. Qasim, H. Fredrickson, J. Furey, C. McGrath. Theoretical predictions of chemical degradation reaction mechanisms of cyclic (RDX, HMX) and cage cyclic (CL-20, ONC, TNTAC) nitramines as related to their molecular structures with experimental verification using CL-20 as model, poster presented at Partners: SERDP/ESTCP, Washington, DC, December (2003).
    • (2003) Partners: SERDP/ESTCP
    • Qasim, M.1    Fredrickson, H.2    Furey, J.3    McGrath, C.4
  • 20
    • 85195063379 scopus 로고    scopus 로고
    • Theoretical predictions as to initial/intermediate steps in chemical transformation of cyclic and cage cyclic nitramines are supported by UV/VIS/FTIR spectrophotometry, using CL-20 as the model, poster presented, Jackson, MS, 31 October-1 November
    • M. Qasim, H. Fredrickson, J. Furey, C. McGrath. Theoretical predictions as to initial/intermediate steps in chemical transformation of cyclic and cage cyclic nitramines are supported by UV/VIS/FTIR spectrophotometry, using CL-20 as the model, poster presented at the 12th CCTCC, Jackson, MS, 31 October-1 November (2003).
    • (2003) 12th CCTCC
    • Qasim, M.1    Fredrickson, H.2    Furey, J.3    McGrath, C.4
  • 21
    • 85195028328 scopus 로고    scopus 로고
    • Theoretical predictions of chemical degradation reaction mechanisms of cyclic (RDX, HMX) and caged nitramines (CL-20, ONC, TNTAC)
    • paper presented, Orange Beach, AL, 28 March
    • M. Qasim, H. Fredrickson, C. McGrath, J. Furey, R. Bajpai. Theoretical predictions of chemical degradation reaction mechanisms of cyclic (RDX, HMX) and caged nitramines (CL-20, ONC, TNTAC), paper presented at the 3rd SSCC, Orange Beach, AL, 28 March (2003).
    • (2003) 3rd SSCC
    • Qasim, M.1    Fredrickson, H.2    McGrath, C.3    Furey, J.4    Bajpai, R.5
  • 22
    • 85195051708 scopus 로고    scopus 로고
    • Certain chemical degradation schemes successful with RDX are predicted to be successful with CL-20 and structurally similar nitramines, poster presented, Washington, D.C., 3-5 December
    • M. Qasim, H. Fredrickson, C. McGrath, R. Bajpai. Certain chemical degradation schemes successful with RDX are predicted to be successful with CL-20 and structurally similar nitramines, poster presented at Partners in Environ. Tech. Symp. & Workshop, Washington, D.C., 3-5 December (2002).
    • (2002) Partners in Environ. Tech. Symp. & Workshop
    • Qasim, M.1    Fredrickson, H.2    McGrath, C.3    Bajpai, R.4
  • 23
    • 85195044414 scopus 로고    scopus 로고
    • Modes of degradation of cyclic nitramines: an approximation method comparison of relationships between the structures and reactivities of CL-20, ONC, TNTAC and RDX, poster presentation, Jackson, MS, 1-2 November
    • M. Qasim, H. Fredrickson, C. McGrath, R. Bajpai. Modes of degradation of cyclic nitramines: an approximation method comparison of relationships between the structures and reactivities of CL-20, ONC, TNTAC and RDX, poster presentation at the 11th CCTCC, Jackson, MS, 1-2 November (2002).
    • (2002) 11th CCTCC
    • Qasim, M.1    Fredrickson, H.2    McGrath, C.3    Bajpai, R.4
  • 24
    • 30944448750 scopus 로고    scopus 로고
    • Two pathways generated through approximation methods: A mechanistic study of RDX Degradation
    • paper presented, Vicksburg, MS, 4 November
    • M. Qasim, L. Hansen. Two pathways generated through approximation methods: a mechanistic study of RDX Degradation, paper presented at the 9th CCTCC, Vicksburg, MS, 4 November (2000).
    • (2000) 9th CCTCC
    • Qasim, M.1    Hansen, L.2
  • 28
    • 85195070104 scopus 로고    scopus 로고
    • The mechanism of unimolecular decomposition of CL-20 (2,4,6,8,10,12 Hexanitro-2,4,6,8,10,12-Hexaazaiso-wurtzitane). A computational DFT study, poster presented, Orange Beach, AL, 26-27 March
    • S. Okoyyty, K. Kholod, J. Saloni, M. Qasim, H. Fredrickson. J. Leszczynski. The mechanism of unimolecular decomposition of CL-20 (2,4,6,8,10,12 Hexanitro-2,4,6,8,10,12-Hexaazaiso-wurtzitane). A computational DFT study, poster presented at the 4th South. Schl. on Comp. Chem. (SSCC), Orange Beach, AL, 26-27 March (2004).
    • (2004) 4th South. Schl. on Comp. Chem. (SSCC)
    • Okoyyty, S.1    Kholod, K.2    Saloni, J.3    Qasim, M.4    Fredrickson, H.5    Leszczynski, J.6
  • 29
    • 85195101420 scopus 로고    scopus 로고
    • The theoretical investigation of potential energy surface of CL-20 degradation process, poster presented, Jackson, MS, 12-13 November
    • S. Okovytvv, Y. Kholod. M. Qasim, H. Fredrickson, J. Leszczynski. The theoretical investigation of potential energy surface of CL-20 degradation process, poster presented at the 13th CCTCC, Jackson, MS, 12-13 November (2004).
    • (2004) 13th CCTCC
    • Okovytvv, S.1    Kholod, Y.2    Qasim, M.3    Fredrickson, H.4    Leszczynski, J.5
  • 30
    • 0006100862 scopus 로고    scopus 로고
    • Simplified Concepts in Spectroscopy and Photochemistry
    • US Army Corps of Engineers, Vicksburg, MS (April)
    • M. Qasim. Simplified Concepts in Spectroscopy and Photochemistry. WES Technical Report/Manual IRRP-97-3, US Army Corps of Engineers, Vicksburg, MS (April 1997).
    • (1997) WES Technical Report/Manual IRRP-97-3
    • Qasim, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.