First-principles investigation of decomposition and adsorption properties of RDX on the surface of MgH2
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DOI: 10.1016/j.chemphys.2017.09.005
Abstract: Abstract Surface adsorption and decomposition mechanisms of cyclotrimethylenetrinitramine (RDX) molecules on the MgH2 (1 1 0) crystal face are investigated in this paper by employing the First-Principles. With the N-NO2 bond of RDX molecules as a reference, 12… read more here.
Keywords: adsorption; bond; mgh2 crystal; rdx ... See more keywords