Bulletin of the Korean Chemical Society

  • 제22권7호
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  • Pages.775-778
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  • 2001
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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Holographic QSAR Models for Estimating Densities of Energetic Materials

  • 발행 : 20010700
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초록

키워드

참고문헌

  1. Rock Blastings and Explosives Engineering Pesson, P-A.;Holmberg, R.;Lee, J.
  2. Cheetah 2.0 User Manual v.5 Lawrence Livermore National Laboratory Report UCRL-MA-117541 Rev. Fried, L. E.;Howard, W. M.;Souers, P. C.
  3. J. Def. Tech. Res. v.6 Goh, E. M.;Cho, S. G.;Park, B. S.
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  5. J. Computer Simulation to Predict Possible Crystal Polymorphs. v.12 Riviews in Computational Chemistry Verwer, P.;Leusen, F. J.;Lipkowitz, K. B.(ed.);Boyd, D. B.(eds.)
  6. Acta Cryst. v.B49 Gavezzotti, A.;Filippini, G.
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  11. Acta Cryst. v.A52 Williams, D. E.
  12. Acta Cryst. v.A31 Hall, D.;Williams, D. E.
  13. Inorg. Chem. v.36 Williams, D. E.;Gao, D.
  14. J. Comput. Chem. v.14 Holden, J. R.;Du, Z.;Ammon, H. L.
  15. J. Chem. Mater v.6 Perlstein
  16. J. Am. Chem. Soc. v.114 Perlstein, J.
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  18. J. Am. Chem. Soc. v.116 Perlstein, J.
  19. J. Am. Chem. Soc. v.116 Perlstein, J.
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  28. Los Alamos National Laboratory Report LA-11142-MS A Procedure for Estimating the Crystal Densities of Organic Explosives Cromer, D. T.;Ammon, H. L.;Holden,J. R.
  29. J. Phys. Chem. A v.102 Sorescu, D. C.;Rice, B. M.;Thompson, D. L.
  30. J. Phys. Chem. A v.102 Sorescu, D. C.;Rice, B. M.;Thompson, D. L.
  31. J. Phys. Chem. B v.103 Sorescu, D. C.;Thompson, D. L.
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  33. J. Chem. Eng. Data v.24 Tarver, C. M.
  34. Los Alamos National Laboratory Report LA-8920 Prediction of Crystal Densities of Organic Explosives by Group Additivity Stine, R. S.
  35. Propell. Explos. Pyrotech v.23 Ammon, H. L.;Mitchell, S.
  36. Tripos Technical Notes v.1 no.5 Lowis, D. R. HQSAR. A New
  37. Quant. Struct.-Act. Relat v.17 Winker, D. A.;Burden, F. R.
  38. Quant. Struct.-Act. Relat. v.18 Seel, M. S.;Turner, D. B.;Willett, P.
  39. J. Chem. Inf. Comput. Sci. v.38 Tong, W.;Lowis, D. R.;Perkins, R.;Chen, Y.;Welsh, W. J.;Goddette, D. W.;Heritage, T. W.;Sheehan, D. M.
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피인용 문헌

  1. Updated Atom/Functional Group and Atom_Code Volume Additivity Parameters for the Calculation of Crystal Densities of Single Molecules, Organic Salts, and Multi-Fragment Materials Containing H, C, B, N vol.33, pp.2, 2001, https://doi.org/10.1002/prep.200700054
  2. Azole-Based Energetic Salts vol.111, pp.11, 2001, https://doi.org/10.1021/cr200039c
  3. Computational Studies on Nitro Derivatives of 1-Hydroxy-1,2,4-triazole vol.30, pp.3, 2012, https://doi.org/10.1080/07370652.2011.585215
  4. Molecular design of aminopolynitroazole-based high-energy materials vol.18, pp.7, 2001, https://doi.org/10.1007/s00894-011-1315-x
  5. A New Computer Code for Assessment of Energetic Materials with Crystal density, Condensed Phase Enthalpy of Formation, and Activation Energy of Thermolysis vol.38, pp.1, 2001, https://doi.org/10.1002/prep.201100156
  6. Theoretical investigations on the structure, density, thermodynamic and performance properties of amino-, methyl-, nitroso- and nitrotriazolones vol.19, pp.1, 2001, https://doi.org/10.1007/s00894-012-1515-z
  7. A DFT study of tautomers of 3-amino-1-nitroso-4-nitrotriazol-5-one-2-oxide vol.19, pp.6, 2001, https://doi.org/10.1007/s00894-013-1801-4
  8. Computational studies on the structures and energies of the tautomers of 1-amino-3-nitrotriazol-5-one-2-oxide vol.24, pp.4, 2013, https://doi.org/10.1007/s11224-012-0166-0
  9. Theoretical studies on the structure, thermochemical and detonation properties of amino and nitroso substituted 1,2,4-triazol-5-one-N-oxides vol.19, pp.11, 2001, https://doi.org/10.1007/s00894-013-1966-x
  10. Reparameterization of 12-6 Lennard-Jones potentials based on quantum mechanism results for novel tetrahedral N4 (Td) explosives vol.135, pp.3, 2001, https://doi.org/10.1007/s00214-015-1800-x
  11. DFT study on the effect of relative positions of methyl-, nitro- and N→oxide groups on the molecular structure, thermal/kinetic stability, crystal density, heat of decomposition and performance chara vol.115, pp.14, 2001, https://doi.org/10.1080/00268976.2017.1314032