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- W2145272961 abstract "Following the successful synthesis of the TNAZ (1,3,3-trinitroazetidine), the amine reactant is theoretically replaced to yield the hypothesized TNAZ molecular derivatives. Hybrid density-functional theory (DFT) calculation method was applied to model TNAZ and its derivatives. In this investigation, the target molecular volumes were initially obtained using the group additivity approach, and then transferred into molecular densities. The densities and the least squares estimated enthalpies of formation (ΔHf) of TNAZ, and the corresponding derivatives, were obtained and the Kamlet–Jacobs empirical equations were used to determine the related detonation velocity and detonation pressure. The simulation results reveal that four of the TNAZ molecular derivatives perform similarly to the traditionally used RDX (1,3,5-trinitro-1,3,5-triazacyclohexane). Two other derivatives outperform RDX, with performance that approach that of HMX (1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane)." @default.
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- W2145272961 date "2004-09-01" @default.
- W2145272961 modified "2023-09-25" @default.
- W2145272961 title "EMPIRICAL METHODS FOR ESTIMATING THE DETONATION PROPERTIES OF ENERGETIC TNAZ MOLECULAR DERIVATIVES" @default.
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- W2145272961 doi "https://doi.org/10.1142/s0219633604001100" @default.
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