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59. Yuan B, Yu Z, Bernstein ER (2014) Initial decomposition mechanism for the energy release
from electronically excited energetic materials: FOX-7 (1,1-Diamino-2,2-Dinitroethene,
C2H4N4O4). J Chem Phys 140(7)
60. Chakraborty D, Muller RP, Dasgupta S, Goddard WA (2001) Mechanism for unimolecular
decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine), an Ab Initio study. J Phys
Chem A 105(8):1302–1314
61. Kim H, Dlott DD (1990) Theory of ultrahot molecular solids: vibrational cooling and shockinduced multiphonon up pumping in crystalline naphthalene. J Chem Phys 93(3):1695–1709
62. Coffey CS, Toton ET (1982) A microscopic theory of compressive wave-induced reactions in
solid explosives. J Chem Phys 76(2):949–954
63. Zhang G, Weeks BL (2010) A device for testing thermal impact sensitivity of high explosives.
Propellants Explos Pyrotech 35(5):440–445
64. Michalchuk AAL, Trestman M, Rudi´ c S, Portius P, Fincham PT, Pulham CR, Morrison CA
(2019) Predicting the reactivity of energetic materials: an Ab Initio multi-phonon approach. J
Mater Chem A 7(33):19539–19553