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1 Central European Journal of Energetic Materials

1 2007

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Performance, Sensitivity and Non-covalent Hydrogen Bonds of Explosives

Pospíši M., Vávra P.

Central European Journal of Energetic Materials

2007

Vol. 4, nr 3

25-32

A set of 30 different molecular structures generally confirms that the sensitivity usually increases with increasing the value of detonation energy. This can be influenced by several factors depending on the type of crystal structure and on the properties depending on mutual interactions among the molecules in the crystal. In this work, the influence of hydrogen bond interactions on decreasing sensitivity of energetic materials was especially confirmed in cases where amine head group is a donor of proton. The knowledge of basic crystal structure properties relationship in detail may allow to predict new structures of energetic materials with low sensitivity and high detonation energy per unit volume by molecular simulation methods.