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Volumn 1, Issue 1, 2010, Pages 363-367

Self-accelerated mechanochemistry in nitroarenes

Author keywords

Catalysis; Interfaces; Surfaces

Indexed keywords

DECOMPOSITION MECHANISM; DECOMPOSITION PRODUCTS; EXPLOSIVE DECOMPOSITION; HOMOLYSIS; INTERFACES; MECHANO-CHEMISTRY; MOLECULAR ENVIRONMENT; MOLECULAR LAYER; NITROARENES; SHEAR PLANE; STRAIN-INDUCED DEFORMATION; TRINITROBENZENE;

EID: 77149172590     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz9001967     Document Type: Article
Times cited : (40)

References (21)
  • 2
    • 0000455949 scopus 로고
    • Kinetics and Mechanisms of Thermal-Decomposition of Nitroaromatic Explosives
    • Brill, T. B.; James, K. J. Kinetics and Mechanisms of Thermal-Decomposition of Nitroaromatic Explosives. Chem. Rev. 1993,93,2667-2692.
    • (1993) Chem. Rev. , vol.93 , pp. 2667-2692
    • Brill, T.B.1    James, K.J.2
  • 3
    • 0001756526 scopus 로고    scopus 로고
    • 1,1-Diamino-2,2-Dinitroethylene: A Novel Energetic Material with Infinite Layers in Two Dimensions
    • Bemm, U.; Ostmark, H. 1,1-Diamino-2,2-Dinitroethylene: A Novel Energetic Material with Infinite Layers in Two Dimensions. Acta Crystallogr., Sect. C 1998, 54, 1997-1999.
    • (1998) Acta Crystallogr., Sect. C , vol.54 , pp. 1997-1999
    • Bemm, U.1    Ostmark, H.2
  • 4
    • 0000276315 scopus 로고
    • Crystal Structure of 1,3,5-Triamono- 2,4,6-trinitrobenzene
    • Cady, H. H.; Larson, A. Crystal Structure of 1,3,5-Triamono- 2,4,6-trinitrobenzene. Acta Crystallogr. 1965, 18, 485-496.
    • (1965) Acta Crystallogr. , vol.18 , pp. 485-496
    • Cady, H.H.1    Larson, A.2
  • 5
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77, 3865-3868.
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 6
    • 35949007146 scopus 로고
    • Ab-Initio Molecular-Dynamics for Open-Shell Transition-Metals
    • Kresse, G.; Hafner, J. Ab-Initio Molecular-Dynamics for Open-Shell Transition-Metals. Phys. Rev. B 1993, 48, 13115-13118.
    • (1993) Phys. Rev. B , vol.48 , pp. 13115-13118
    • Kresse, G.1    Hafner, J.2
  • 8
    • 33947392471 scopus 로고    scopus 로고
    • Ab-Initio Equation of State of an Organic Molecular Crystal: 1,1-Diamino-2,2-dinotroethylene
    • Zerilli, F. J.; Kuklja, M. M. Ab-Initio Equation of State of an Organic Molecular Crystal: 1,1-Diamino-2,2-dinotroethylene. J. Phys. Chem. A 2007, 111, 1721-1725.
    • (2007) J. Phys. Chem. A , vol.111 , pp. 1721-1725
    • Zerilli, F.J.1    Kuklja, M.M.2
  • 9
    • 2442417417 scopus 로고    scopus 로고
    • Electronic Structure of Solid 1,3,5-Triamoni-2,4,6-trinitrobenzene under Uniaxial Compression: Possible Role of Pressure-Induced Metallization in Energetic Materials
    • 235101
    • Wu, C. J.; Yang, L. H.; Fried, L. E.; Quenneville, J.; Martinez, T. J. Electronic Structure of Solid 1,3,5-Triamoni-2,4,6-trinitrobenzene under Uniaxial Compression: Possible Role of Pressure-Induced Metallization in Energetic Materials. Phys. Rev. B 2003, 67, 235101.
    • (2003) Phys. Rev. B , vol.67
    • Wu, C.J.1    Yang, L.H.2    Fried, L.E.3    Quenneville, J.4    Martinez, T.J.5
  • 10
    • 0033708206 scopus 로고    scopus 로고
    • Ring Closure Mediated by Intramolecular Hydrogen Transfer in the Decomposition of a Push-Pull Nitroaromatic: TATB
    • Wu, C.; Fried, L. E. Ring Closure Mediated by Intramolecular Hydrogen Transfer in the Decomposition of a Push-Pull Nitroaromatic: TATB. J. Phys. Chem. A 2000, 104, 6447-6452.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 6447-6452
    • Wu, C.1    Fried, L.E.2
  • 11
    • 0000803878 scopus 로고    scopus 로고
    • Ab Initio Investigation of the Structure and Electronic Properties of the Energetic Solids TATB and RDX
    • Kunz, A. B. Ab Initio Investigation of the Structure and Electronic Properties of the Energetic Solids TATB and RDX. Phys. Rev. B 1996, 53, 9733-9738.
    • (1996) Phys. Rev. B , vol.53 , pp. 9733-9738
    • Kunz, A.B.1
  • 12
    • 34247210826 scopus 로고    scopus 로고
    • Shear-Strain-Induced Chemical Reactivity of Layered Molecular Crystals
    • 151913
    • Kuklja, M. M.; Rashkeev, S. N. Shear-Strain-Induced Chemical Reactivity of Layered Molecular Crystals. Appl. Phys. Lett. 2007,90,151913.
    • (2007) Appl. Phys. Lett. , vol.90
    • Kuklja, M.M.1    Rashkeev, S.N.2
  • 13
    • 33947232619 scopus 로고    scopus 로고
    • Shear-Strain-Induced Structural and Electronic Modifications of the Molecular Crystal 1,1-Diamino-2,2-dinitroethylene: Slip-Plane Flow and Band Gap Relaxation
    • 104111
    • Kuklja, M. M.; Rashkeev, S. N. Shear-Strain-Induced Structural and Electronic Modifications of the Molecular Crystal 1,1-Diamino-2,2-dinitroethylene: Slip-Plane Flow and Band Gap Relaxation. Phys. Rev. B 2007, 75, 104111.
    • (2007) Phys. Rev. B , vol.75
    • Kuklja, M.M.1    Rashkeev, S.N.2
  • 14
    • 0029254909 scopus 로고
    • Reversible Work Transition-State Theory; Application To Dissociative Adsorption of Hydrogen
    • Mills, G.; Jonsson, H.; Schenter, G. K. Reversible Work Transition-State Theory; Application To Dissociative Adsorption of Hydrogen. Surf. Sci. 1995, 324, 305-337.
    • (1995) Surf. Sci. , vol.324 , pp. 305-337
    • Mills, G.1    Jonsson, H.2    Schenter, G.K.3
  • 15
    • 0001126805 scopus 로고
    • Thermal-Decomposition of Energetic Materials 0.61. Perfidy in the Amino-2,4,6-trinitrobenzene Series of Explosives
    • Brill, T. B.; James, K. J. Thermal-Decomposition of Energetic Materials 0.61. Perfidy in the Amino-2,4,6-trinitrobenzene Series of Explosives. J. Phys. Chem. 1993, 97, 8752-8758.
    • (1993) J. Phys. Chem. , vol.97 , pp. 8752-8758
    • Brill, T.B.1    James, K.J.2
  • 16
    • 66149172369 scopus 로고    scopus 로고
    • Nanosecond Time-Resolved and Steady-State Infrared Studies of Photoinduced Decomposition of TATB at Ambient and Elevated Pressure
    • Glascoe, E. A.; Zaug, J. M.; Armstrong, M. R.; Crowhurst, J. C.; Grant, C. D.; Fried, L. E. Nanosecond Time-Resolved and Steady-State Infrared Studies of Photoinduced Decomposition of TATB at Ambient and Elevated Pressure. J. Phys. Chem. A 2009, 113, 5881-5887.
    • (2009) J. Phys. Chem. A , vol.113 , pp. 5881-5887
    • Glascoe, E.A.1    Zaug, J.M.2    Armstrong, M.R.3    Crowhurst, J.C.4    Grant, C.D.5    Fried, L.E.6
  • 18
    • 53349161641 scopus 로고    scopus 로고
    • Effect of Molecular and Lattice Structure on Hydrogen Transfer in Molecular Crystals of Diamino-Dinitroethylene and Triamino-Trinitrobenzene
    • Kimmel, A.V.; Sushko, P.V.; Shluger, A.L.; Kuklja, M. M. Effect of Molecular and Lattice Structure on Hydrogen Transfer in Molecular Crystals of Diamino-Dinitroethylene and Triamino-Trinitrobenzene. J. Phys. Chem. A 2008, 112, 4496-4500.
    • (2008) J. Phys. Chem. A , vol.112 , pp. 4496-4500
    • Kimmel, A.V.1    Sushko, P.V.2    Shluger, A.L.3    Kuklja, M.M.4
  • 20
    • 0011135462 scopus 로고
    • High-Pressure Raman-Scattering and Inelastic Neutron-Scattering Studies of Triaminotrinitrobenzene
    • and references therein
    • Satija, S. K.; Swanson, B.; Eckert, J.; Goldstone, J. A. High-Pressure Raman-Scattering and Inelastic Neutron-Scattering Studies of Triaminotrinitrobenzene. J. Phys. Chem. 1991, 95, 10103-10109 and references therein.
    • (1991) J. Phys. Chem. , vol.95 , pp. 10103-10109
    • Satija, S.K.1    Swanson, B.2    Eckert, J.3    Goldstone, J.A.4
  • 21
    • 33846395375 scopus 로고    scopus 로고
    • 3 Formed During the Decomposition of Nitramine Explosives?
    • 3 was recently predicted theoretically in RDX decompositions; see
    • 3 Formed During the Decomposition of Nitramine Explosives? J. Phys. Chem. A 2006, 110, 13974-13978.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 13974-13978
    • Irikura, K.K.1    Johnson, R.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.