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DFT investigation of adsorption of nitro-explosives over C2N surface: Highly selective towards trinitro benzene

Sehrish Sarfaraz, Muhammad Yar, Adnan Ali Khan, Rashid Ahmad, Khurshid Ayub

2022Journal of Molecular Liquids71 citationsDOI

Topics & Concepts

NitroChemistryAdsorptionExplosive materialHOMO/LUMODensity functional theoryExplosive detectionComputational chemistryPhysical chemistryOrganic chemistryMoleculeAlkylEnergetic Materials and CombustionBoron and Carbon Nanomaterials ResearchGraphene research and applications
DFT investigation of adsorption of nitro-explosives over C2N surface: Highly selective towards trinitro benzene | Litcius