Parts of this thesis have been published in the following journal articles:
Adam A.L. Michalchuk, Peter T. Fincham, Peter Portius, Colin R. Pulham, and
Carole A. Morrison, A Pathway to the Athermal Impact Initiation of Energetic
Azides, J. Phys. Chem. C, 2018, 122(34), 19395–19408
Adam A.L. Michalchuk, Svemir Rudić, Colin R. Pulham, and Carole A. Morrison,
Vibrationally induced metallisation of the energetic azide a-NaN 3 ,
PhysChemChemPhys, 2018, 20(46), 29061–29069
Adam A.L. Michalchuk, Morris Trestman, Svemir Rudić, Peter Portius, Peter T.
Fincham, Colin R. Pulham, and Carole A. Morrison, Predicting the reactivity of
energetic materials: an ab initio multi-phonon approach, J. Mater. Chem. A, 2019,
7, 19539–19553
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