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Volumn 119, Issue 28, 1997, Pages 6583-6589

Ab initio density functional computations of conformations and bond dissociation energies for hexahydro-1,3,5-trinitro-1,3,5-triazine

Author keywords

[No Author keywords available]

Indexed keywords

NITRO DERIVATIVE; TRIAZINE DERIVATIVE;

EID: 0030762779     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970392i     Document Type: Article
Times cited : (171)

References (56)
  • 5
    • 33751385830 scopus 로고
    • Botcher, T. R.; Wight, C. A. J. Phys. Chem. 1994, 98, 5441-44; 1993, 97, 9149-9153.
    • (1993) J. Phys. Chem. , vol.97 , pp. 9149-9153
  • 10
    • 0000844190 scopus 로고
    • Saxon, R. P.; Yoshimine, M. J. Phys. Chem. 1989, 93, 3130-3135. Lazarou, Y. G.; Papagiannakopoulos, P. J. Phys. Chem. 1990, 94, 7114-7119. Saxon, R. P.; Yoshimine, M. Can. J. Chem. 1992, 70, 572-579.
    • (1989) J. Phys. Chem. , vol.93 , pp. 3130-3135
    • Saxon, R.P.1    Yoshimine, M.2
  • 11
    • 0007944773 scopus 로고
    • Saxon, R. P.; Yoshimine, M. J. Phys. Chem. 1989, 93, 3130-3135. Lazarou, Y. G.; Papagiannakopoulos, P. J. Phys. Chem. 1990, 94, 7114-7119. Saxon, R. P.; Yoshimine, M. Can. J. Chem. 1992, 70, 572-579.
    • (1990) J. Phys. Chem. , vol.94 , pp. 7114-7119
    • Lazarou, Y.G.1    Papagiannakopoulos, P.2
  • 12
    • 0000844190 scopus 로고
    • Saxon, R. P.; Yoshimine, M. J. Phys. Chem. 1989, 93, 3130-3135. Lazarou, Y. G.; Papagiannakopoulos, P. J. Phys. Chem. 1990, 94, 7114-7119. Saxon, R. P.; Yoshimine, M. Can. J. Chem. 1992, 70, 572-579.
    • (1992) Can. J. Chem. , vol.70 , pp. 572-579
    • Saxon, R.P.1    Yoshimine, M.2
  • 13
    • 33749442826 scopus 로고    scopus 로고
    • Ryzhkov, L. R.; McBride, J. M. J. Phys. Chem. 1996, 100, 163-169. See also: Pace, M. D. J. Energet. Mater. 1985, 3, 279-291.
    • (1996) J. Phys. Chem. , vol.100 , pp. 163-169
    • Ryzhkov, L.R.1    McBride, J.M.2
  • 14
    • 33749442826 scopus 로고    scopus 로고
    • Ryzhkov, L. R.; McBride, J. M. J. Phys. Chem. 1996, 100, 163-169. See also: Pace, M. D. J. Energet. Mater. 1985, 3, 279-291.
    • (1985) J. Energet. Mater. , vol.3 , pp. 279-291
    • Pace, M.D.1
  • 16
  • 17
    • 0000415648 scopus 로고
    • Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1992, 96, 8891-97, 8877-91. See also: Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1991, 95, 5838-45. Behrens, R., Jr. J. Phys. Chem. 1990, 94, 6706-18. Behrens, R., Jr. in Chemistry and Physics of Energetic Materials; Bulusu, S. N., ed.; Kluwer: Dordrecht, 1990; pp 347-68.
    • (1992) J. Phys. Chem. , vol.96 , pp. 8891-8897
    • Behrens Jr., R.1    Bulusu, S.2
  • 18
    • 0000752251 scopus 로고
    • Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1992, 96, 8891-97, 8877-91. See also: Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1991, 95, 5838-45. Behrens, R., Jr. J. Phys. Chem. 1990, 94, 6706-18. Behrens, R., Jr. in Chemistry and Physics of Energetic Materials; Bulusu, S. N., ed.; Kluwer: Dordrecht, 1990; pp 347-68.
    • (1991) J. Phys. Chem. , vol.95 , pp. 5838-5845
    • Behrens Jr., R.1    Bulusu, S.2
  • 19
    • 0000381954 scopus 로고
    • Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1992, 96, 8891-97, 8877-91. See also: Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1991, 95, 5838-45. Behrens, R., Jr. J. Phys. Chem. 1990, 94, 6706-18. Behrens, R., Jr. in Chemistry and Physics of Energetic Materials; Bulusu, S. N., ed.; Kluwer: Dordrecht, 1990; pp 347-68.
    • (1990) J. Phys. Chem. , vol.94 , pp. 6706-6718
    • Behrens Jr., R.1
  • 20
    • 0000415648 scopus 로고
    • Bulusu, S. N., ed.; Kluwer: Dordrecht
    • Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1992, 96, 8891-97, 8877-91. See also: Behrens, R., Jr.; Bulusu, S. J. Phys. Chem. 1991, 95, 5838-45. Behrens, R., Jr. J. Phys. Chem. 1990, 94, 6706-18. Behrens, R., Jr. in Chemistry and Physics of Energetic Materials; Bulusu, S. N., ed.; Kluwer: Dordrecht, 1990; pp 347-68.
    • (1990) Chemistry and Physics of Energetic Materials , pp. 347-368
    • Behrens Jr., R.1
  • 21
    • 0028377228 scopus 로고
    • and references therein
    • Trulove, P. C.; Chapman, R. D.; Shackelford, S. A. Propellants Explos., Pyrotech. 1994, 19, 42-58 and references therein. Shackelford, S. A. In Chemistry and Physics of Energetic Materials Bulusu, S. N., Ed.; Kluwer: Dordrecht, 1990; pp 413-432.
    • (1994) Propellants Explos., Pyrotech. , vol.19 , pp. 42-58
    • Trulove, P.C.1    Chapman, R.D.2    Shackelford, S.A.3
  • 22
    • 0342435122 scopus 로고
    • Bulusu, S. N., Ed.; Kluwer: Dordrecht
    • Trulove, P. C.; Chapman, R. D.; Shackelford, S. A. Propellants Explos., Pyrotech. 1994, 19, 42-58 and references therein. Shackelford, S. A. In Chemistry and Physics of Energetic Materials Bulusu, S. N., Ed.; Kluwer: Dordrecht, 1990; pp 413-432.
    • (1990) Chemistry and Physics of Energetic Materials , pp. 413-432
    • Shackelford, S.A.1
  • 24
    • 0029345552 scopus 로고
    • Yetter, R. A.; Dryer, F. L.; Allen, M. T.; Gatto, J. L. J. Propul. Power 1995, 11, 683-697. Melius, C. F. In Chemistry and Physics of Energetic Materials Bulusu, S. N., Ed.; Kluwer: Dordrecht, 1990, pp 21-78.
    • (1995) J. Propul. Power , vol.11 , pp. 683-697
    • Yetter, R.A.1    Dryer, F.L.2    Allen, M.T.3    Gatto, J.L.4
  • 25
    • 0002045047 scopus 로고
    • Bulusu, S. N., Ed.; Kluwer: Dordrecht
    • Yetter, R. A.; Dryer, F. L.; Allen, M. T.; Gatto, J. L. J. Propul. Power 1995, 11, 683-697. Melius, C. F. In Chemistry and Physics of Energetic Materials Bulusu, S. N., Ed.; Kluwer: Dordrecht, 1990, pp 21-78.
    • (1990) Chemistry and Physics of Energetic Materials , pp. 21-78
    • Melius, C.F.1
  • 34
    • 0000189651 scopus 로고
    • (b) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652. 1372; 1992, 96, 2155; 1992, 97, 9173.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 35
    • 77956779984 scopus 로고
    • (b) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652. 1372; 1992, 96, 2155; 1992, 97, 9173.
    • (1992) J. Chem. Phys. , vol.96 , pp. 2155
  • 36
    • 0001161681 scopus 로고
    • (b) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652. 1372; 1992, 96, 2155; 1992, 97, 9173.
    • (1992) J. Chem. Phys. , vol.97 , pp. 9173
  • 51
    • 36449002592 scopus 로고
    • Gaussian-2 theory: Curtiss, L. A.; Carpenter, J. E.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1992, 96, 9030 . Curtis, L. A.; Jones, C.; Trucks, G. W.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1990, 93, 2537.
    • (1992) J. Chem. Phys. , vol.96 , pp. 9030
    • Pople, J.A.1


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