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Nitroaromatics are hazardous pollutants. This study investigates C 5 N 2 as a sensor for 1,3-DNB, TNT, and picric acid using DFT. Picric acid exhibited the strongest interaction, indicating C 5 N 2 's potential as a selective sensor for nitroaromatics.
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Nabeela et al. (2024) studied this question.
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