Ab initio prediction of new energetic materials with low impact sensitivities

Morrison, Carole (Principal Investigator)

School of Chemistry

3 Article

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2023
High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1H-pyrazole
Atceken, N., Hemingway, J., Bull, C. L., Liu, X., Michalchuk, A. A. L., Konar, S., Morrison, C. A. & Pulham, C. R., 9 Nov 2023, (E-pub ahead of print) In: Physical Chemistry Chemical Physics.
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Is the impact sensitivity of RDX polymorph dependent?
Christopher, I. L., Pulham, C., Michalchuk, A. A. L. & Morrison, C. A., 28 Mar 2023, In: The Journal of Chemical Physics. 158, 12, 124115.
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2021
Towards Computational Screening for New Energetic Molecules: Calculation of Heat of Formation and Determination of Bond Strengths by Local Mode Analysis
Christopher, I. L., Michalchuk, A. A. L., Pulham, C. R. & Morrison, C. A., 20 Jul 2021, (E-pub ahead of print) In: Frontiers in chemistry. 9
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