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Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study
(2022-04-26)
To handle energetic materials safely, it is important to have knowledge about their sensitivity. Density functional theory (DFT) has proven a valuable tool in the study of energetic materials, and in the current work, DFT ...
Synthesis and characterization of Al@MOF materials
(2019)
The potential impregnation of Al(0) nanoparticles in the pores of three different metal-organic frameworks (MOFs), MIL-53-Al, HKUST-1, and UiO-67, was investigated through the
suspension of the MOFs in AlH3•NMe2Et (1), ...