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The microscopic behavior of vapors of nitroaromatic compounds (NAC) interacting with the surface of sensitive materials is studied using molecular dynamic simulations, in view of contributing to the development of sensors capable of detecting trace amounts of these explosives in the atmosphere. More specifically, we consider two NAC target, namely trinitrotoluene (TNT) and 2,4-dinitrotoluene (2,4-DNT),...
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