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• W2044422900 abstract "1,3,5-Trinitroperhydro-1,3,5-triazine (RDX)-based cage and cage-like nitramines in which two RDX molecules are linked to each other via three and two carbon atoms, respectively, have been investigated computationally using density functional theory (DFT) at a B3LYP/6-31G(d,p) theoretical level. The study focused on finding out how the quantum chemical and detonation properties of RDX change if two RDX molecules come together and form these structures. Both considered nitramines exhibited higher heats of formation (calculated via both PM3 and isodesmic methods) and Kamlet-Jacobs detonation performances and were found to be more sensitive than the reference compounds RDX and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)." @default.
• W2044422900 created "2016-06-24" @default.
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• W2044422900 date "2013-10-01" @default.
• W2044422900 modified "2023-09-24" @default.
• W2044422900 title "Novel RDX-Based Cage and Cage-Like Nitramines" @default.
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• W2044422900 doi "https://doi.org/10.1080/07370652.2012.724145" @default.
• W2044422900 hasPublicationYear "2013" @default.
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