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• W1974799504 abstract "3,3-Dinitroazetidinium hydrochloride (DNAZ·HCl) is a novel insensitive high energy explosive. The density functional theory (DFT) method of the Amsterdam density functional (ADF) was used to calculate the geometry and frequencies. The detonation velocity ( D ) and detonation pressure ( P ) of DNAZ·HCl were estimated using the nitrogen equivalent equation according to the experimental density. Results showed that the initial decomposition step of DNAZ·HCl is the loss of NO 2 from C2 and Cl is the point of molecular reactivity. D and P are 6881.40 m·s -1 and 20.85GPa, respectively." @default.
• W1974799504 created "2016-06-24" @default.
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• W1974799504 date "2014-08-01" @default.
• W1974799504 modified "2023-10-06" @default.
• W1974799504 title "Quantum Chemical Investigation and Detonation Characterization of DNAZ·HCl" @default.
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• W1974799504 doi "https://doi.org/10.4028/www.scientific.net/amr.997.77" @default.
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