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Author

A. F. Al-Hussainy

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A THEORETICAL INVESTIGATION OF NITROBENZENE HYDROGENATION: GASPHASE, SOLVENT EFFECTS, AND Pd CATALYSIS

This study presents a comprehensive density functional theory (DFT) investigation into the stepwise reduction of nitrobenzene to aniline via nitroso and hydroxylamine intermediates. Two mechanistic pathways were explored: a non-catalyzed route in both gas and ethanol phases and a surface-catalyzed route facilitated by...

A. F. Alkaim, A. F. Al-Hussainy, Shaima Abd et al. · 0 citations

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