References
29
50. Yan Q-L, Zeman S (2013) Theoretical evaluation of sensitivity and thermal stability for
high explosives based on quantum chemistry methods: a brief review. Int J Quantum Chem
113(8):1049–1061
51. Rice BM (2017) A perspective on modeling the multiscale response of energetic materials.
AIP Conf Proc 1793
52. Storm CB, Stine JR, Kramer JF (1990) Sensitivity relationships in energetic materials. In:
Bulusu SN (ed) Chemistry and physics of energetic materials. Springer, Dordrecht, pp 605–
639
53. Keshavarz MH, Pouretedal HR (2005) Simple empirical method for prediction of impact
sensitivity of selected class of explosives. J Hazard Mater 124(1–3):27–33
54. Keshavarz MH, Zali A, Shokrolahi A (2009) A simple approach for predicting impact
sensitivity of polynitroheteroarenes. J Hazard Mater 166(2–3):1115–1119
55. Keshavarz MH (2013) A new general correlation for predicting impact sensitivity of energetic
compounds. Propellants Explos Pyrotech 38(6):754–760
56. Keshavarz MH (2010) Simple relationship for predicting impact sensitivity of nitroaromatics,
nitramines, and nitroaliphatics. Propellants Explos Pyrotech 35(2):175–181
57. Fayet G, Rotureau P, Joubert L, Adamo C (2010) Predicting explosibility properties of
chemicals from quantitative structure-property relationships. Process Saf Prog 29(4):359–371
58. Fayet G, Rotureau P, Prana V, Adamo C (2012) Global and local QSPR models to predict
the impact sensitivity of nitro compounds. Glob Congr Process Saf 2012—Top Conf 2012
AIChE Spring Meet 8th Glob Congr Process Saf, vol 1 (April), pp 254–270
59. Fayet G, Rotureau P (2014) Development of simple QSPR models for the impact sensitivity
of nitramines. J Loss Prev Process Ind 30(1):1–8
60. Badders NR, Wei C, Aldeeb AA, Rogers WJ, Mannan MS (2006) Predicting the impact
sensitivities of polynitro compounds using quantum chemical descriptors. J Energ Mater
24(1):17–33
61. Shuo G (2013) A QSPR Model for prediction of the impact sensitivities of some nitro
compounds. Adv Mater Res 641–642:109–112
62. Edwards DJ, Jacobs S (eds) (1976) Sixth symposium on detonation. Office of Naval ResearchDepartment of the Navy, Coronado, California
63. Kamlet MJ, Adolph HG (1979) The relationship of impact sensitivity with structure of organic
high explosives. II. Polynitroaromatic explosives. Propellants Explos Pyrotech 4(2):30–34
64. Skare D, Suceska M (1998) Study of detonation parameters of polynitroadamantanes, potential new explosives. I. Molecular mass/Density and oxygen content/Sensitivity relationships.
Croat Chem Acta 71(3):765–776
65. Owens FJ (1985) Relationship between impact induced reactivity of trinitroaromatic
molecules and their molecular structure. J Mol Struct THEOCHEM 22(1–5):213–220
66. Zeman S (1999) Relationship between detonation characteristics and 15n Nmr chemical shifts
of nitramines. J Energ Mater 17(4):305–329
67. Jungová M, Zeman S, Yan Q-L (2014) Recent advances in the study of the initiation of
nitramines by impact using their 15 N NMR chemical shifts. Cent Eur J Energ Mater 11(3):383–
393
68. Zeman SA (2003) Study of chemical micromechanism of the organic polynitro compounds
initiation. In: Politzer P, Murray JS (eds) Theoretical and computational chemistry, energetic
materials. part 2: detonation, combustion. Elsevier B.V., Amsterdam, pp 25–52
69. Keshavarz MH, Hayati M, Ghariban-Lavasani S, Zohari N (2015) A new method for predicting
the friction sensitivity of nitramines. Cent Eur J Energ Mater 12(2):215–227
70. Owens FJ, Jayasuriya K, Abrahmsen L, Politzer P (1985) Computational analysis of some
properties associated with the nitro groups in polynitroaromatic molecules. Chem Phys Lett
116(5):434
71. Murray JS, Politzer P (1990) Structure-sensitivity relationships in energetic compounds. In:
Bulusu SN (ed) Chemistry and physics of energetic materials. Kluwer Academic Publishers,
Netherlands, pp 157–158
72. Owens FJ (1996) Some energetic molecules. J Mol Struct 370:11–16
29
50. Yan Q-L, Zeman S (2013) Theoretical evaluation of sensitivity and thermal stability for
high explosives based on quantum chemistry methods: a brief review. Int J Quantum Chem
113(8):1049–1061
51. Rice BM (2017) A perspective on modeling the multiscale response of energetic materials.
AIP Conf Proc 1793
52. Storm CB, Stine JR, Kramer JF (1990) Sensitivity relationships in energetic materials. In:
Bulusu SN (ed) Chemistry and physics of energetic materials. Springer, Dordrecht, pp 605–
639
53. Keshavarz MH, Pouretedal HR (2005) Simple empirical method for prediction of impact
sensitivity of selected class of explosives. J Hazard Mater 124(1–3):27–33
54. Keshavarz MH, Zali A, Shokrolahi A (2009) A simple approach for predicting impact
sensitivity of polynitroheteroarenes. J Hazard Mater 166(2–3):1115–1119
55. Keshavarz MH (2013) A new general correlation for predicting impact sensitivity of energetic
compounds. Propellants Explos Pyrotech 38(6):754–760
56. Keshavarz MH (2010) Simple relationship for predicting impact sensitivity of nitroaromatics,
nitramines, and nitroaliphatics. Propellants Explos Pyrotech 35(2):175–181
57. Fayet G, Rotureau P, Joubert L, Adamo C (2010) Predicting explosibility properties of
chemicals from quantitative structure-property relationships. Process Saf Prog 29(4):359–371
58. Fayet G, Rotureau P, Prana V, Adamo C (2012) Global and local QSPR models to predict
the impact sensitivity of nitro compounds. Glob Congr Process Saf 2012—Top Conf 2012
AIChE Spring Meet 8th Glob Congr Process Saf, vol 1 (April), pp 254–270
59. Fayet G, Rotureau P (2014) Development of simple QSPR models for the impact sensitivity
of nitramines. J Loss Prev Process Ind 30(1):1–8
60. Badders NR, Wei C, Aldeeb AA, Rogers WJ, Mannan MS (2006) Predicting the impact
sensitivities of polynitro compounds using quantum chemical descriptors. J Energ Mater
24(1):17–33
61. Shuo G (2013) A QSPR Model for prediction of the impact sensitivities of some nitro
compounds. Adv Mater Res 641–642:109–112
62. Edwards DJ, Jacobs S (eds) (1976) Sixth symposium on detonation. Office of Naval ResearchDepartment of the Navy, Coronado, California
63. Kamlet MJ, Adolph HG (1979) The relationship of impact sensitivity with structure of organic
high explosives. II. Polynitroaromatic explosives. Propellants Explos Pyrotech 4(2):30–34
64. Skare D, Suceska M (1998) Study of detonation parameters of polynitroadamantanes, potential new explosives. I. Molecular mass/Density and oxygen content/Sensitivity relationships.
Croat Chem Acta 71(3):765–776
65. Owens FJ (1985) Relationship between impact induced reactivity of trinitroaromatic
molecules and their molecular structure. J Mol Struct THEOCHEM 22(1–5):213–220
66. Zeman S (1999) Relationship between detonation characteristics and 15n Nmr chemical shifts
of nitramines. J Energ Mater 17(4):305–329
67. Jungová M, Zeman S, Yan Q-L (2014) Recent advances in the study of the initiation of
nitramines by impact using their 15 N NMR chemical shifts. Cent Eur J Energ Mater 11(3):383–
393
68. Zeman SA (2003) Study of chemical micromechanism of the organic polynitro compounds
initiation. In: Politzer P, Murray JS (eds) Theoretical and computational chemistry, energetic
materials. part 2: detonation, combustion. Elsevier B.V., Amsterdam, pp 25–52
69. Keshavarz MH, Hayati M, Ghariban-Lavasani S, Zohari N (2015) A new method for predicting
the friction sensitivity of nitramines. Cent Eur J Energ Mater 12(2):215–227
70. Owens FJ, Jayasuriya K, Abrahmsen L, Politzer P (1985) Computational analysis of some
properties associated with the nitro groups in polynitroaromatic molecules. Chem Phys Lett
116(5):434
71. Murray JS, Politzer P (1990) Structure-sensitivity relationships in energetic compounds. In:
Bulusu SN (ed) Chemistry and physics of energetic materials. Kluwer Academic Publishers,
Netherlands, pp 157–158
72. Owens FJ (1996) Some energetic molecules. J Mol Struct 370:11–16