32
1 Introduction
118. Mathieu D (2016) Physics-based modeling of chemical hazards in a regulatory framework:
comparison with quantitative structure-property relationship (QSPR) methods for impact
sensitivities. Ind Eng Chem Res 55(27):7569–7577
119. Fried LE, Ruggiero AJ (1994) Energy-transfer rates in primary, secondary, and insensitive
explosives. J Phys Chem 98(39):9786–9791
120. Ye S, Koshi M (2006) Theoretical studies of energy transfer rates of secondary explosives. J
Phys Chem B 110(37):18515–18520
121. McNesby KL, Coffey CS (1997) Spectroscopic determination of impact sensitivities of
explosives. J Phys Chem B 101(16):3097–3104
122. Ye S, Tonokura K, Koshi M (2003) Energy transfer rates and impact sensitivities of crystalline
explosives. Combust Flame 132(1–2):240–246
123. Bernstein J (2018) Ab initio study of energy transfer rates and impact sensitivities of crystalline
explosives. J Chem Phys 148(8):084502
124. McGrane SD, Barber J, Quenneville J (2005) Anharmonic vibrational properties of explosives
from temperature-dependent Raman. J Phys Chem A 109(44):9919–9927
125. Piryatinski A, Tretiak S, Sewell TD, McGrane SD (2007) Vibrational spectroscopy of polyatomic materials: semiempirical calculations of anharmonic couplings and infrared and
Raman Linewidths in naphthalene and PETN crystals. Phys Rev B Condens Matter Mater
Phys 75(21):1–9
126. Colognesi D, Celli M, Cilloco F, Newport RJ, Parker SF, Rossi-Albertini V, Sacchetti F,
Tomkinson J, Zoppi M (2002) TOSCA neutron spectrometer: the final configuration. Appl
Phys A Mater Sci Process 74:64–66
1 Introduction
118. Mathieu D (2016) Physics-based modeling of chemical hazards in a regulatory framework:
comparison with quantitative structure-property relationship (QSPR) methods for impact
sensitivities. Ind Eng Chem Res 55(27):7569–7577
119. Fried LE, Ruggiero AJ (1994) Energy-transfer rates in primary, secondary, and insensitive
explosives. J Phys Chem 98(39):9786–9791
120. Ye S, Koshi M (2006) Theoretical studies of energy transfer rates of secondary explosives. J
Phys Chem B 110(37):18515–18520
121. McNesby KL, Coffey CS (1997) Spectroscopic determination of impact sensitivities of
explosives. J Phys Chem B 101(16):3097–3104
122. Ye S, Tonokura K, Koshi M (2003) Energy transfer rates and impact sensitivities of crystalline
explosives. Combust Flame 132(1–2):240–246
123. Bernstein J (2018) Ab initio study of energy transfer rates and impact sensitivities of crystalline
explosives. J Chem Phys 148(8):084502
124. McGrane SD, Barber J, Quenneville J (2005) Anharmonic vibrational properties of explosives
from temperature-dependent Raman. J Phys Chem A 109(44):9919–9927
125. Piryatinski A, Tretiak S, Sewell TD, McGrane SD (2007) Vibrational spectroscopy of polyatomic materials: semiempirical calculations of anharmonic couplings and infrared and
Raman Linewidths in naphthalene and PETN crystals. Phys Rev B Condens Matter Mater
Phys 75(21):1–9
126. Colognesi D, Celli M, Cilloco F, Newport RJ, Parker SF, Rossi-Albertini V, Sacchetti F,
Tomkinson J, Zoppi M (2002) TOSCA neutron spectrometer: the final configuration. Appl
Phys A Mater Sci Process 74:64–66