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Chemical Descriptors for a Large-Scale Study on Drop-Weight Impact Sensitivity of High Explosives.
J Chem Inf Model. 2023 Feb 13;63(3):753-769. doi: 10.1021/acs.jcim.2c01154. Epub 2023 Jan 25.
J Chem Inf Model. 2023.
PMID: 36695777
Free PMC article.
Atom Equivalent Energies for the Rapid Estimation of the Heat of Formation of Explosive Molecules from Density Functional Tight Binding Theory.
Cawkwell MJ, Burch AC, Ferreira SR, Lease N, Manner VW.
Cawkwell MJ, et al. Among authors: burch ac.
J Chem Inf Model. 2021 Jul 26;61(7):3337-3347. doi: 10.1021/acs.jcim.1c00312. Epub 2021 Jul 12.
J Chem Inf Model. 2021.
PMID: 34252276
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