Author

Muhammed J. Jasem

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Open access Oct 2026

Quantum Chemical Evaluation of the Electronic Reactivity of Benzimidazole Macromolecules: A Computational Study

A series of benzimidazole derivatives ( E1–E5 ) was synthesized and characterized by FT‐IR and 1 H‐NMR spectroscopy. DFT calculations at the B3LYP/6‐311G(d,p) level were performed to evaluate their electronic properties. Frontier molecular orbital analysis revealed that the HOMO–LUMO energy gap (ΔE) follows th...

Nuaman F. Alheety, Jalali Abbas, S. R. Jasim et al. · Macromolecular Symposia · 0 citations

Open access Oct 2026

Synthesis and Macromolecular Docking Evaluation of Nitrile‐Substituted Chalcone Derivatives as Multi‐Target Anti‐Inflammatory Agents

This study reports the synthesis, structural characterization, and molecular docking evaluation of two nitrile‐substituted chalcone derivatives ( N1 and N2 ) prepared via Claisen–Schmidt condensation between alkoxy‐substituted benzaldehydes and 4‐acetylbenzonitrile. The synthesized compounds were characterized...

Nuaman F. Alheety, Bilal J. M. Aldahham, Mudhir Abed Ali et al. · Macromolecular Symposia · 0 citations