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Volume : XV, Issue : VI, July - 2025 DENSITY FUNCTIONAL THEORY (DFT) STUDIES ON METAL-LIGAND BONDING IN TRANSITION METAL COMPLEXES Manju Bala, Dr. Yatendra Kumar Gupta By : Laxmi Book Publication Abstract : Transition metal complexes exhibit diverse bonding patterns and electronic behaviors that are pivotal in catalysis, materials chemistry, and bioinorganic systems. Understanding the nature of metal–ligand interactions is essential for designing functional coordination compounds. Keywords : Article : Cite This Article : Manju Bala, Dr. Yatendra Kumar Gupta(2025). DENSITY FUNCTIONAL THEORY (DFT) STUDIES ON METAL-LIGAND BONDING IN TRANSITION METAL COMPLEXES. Indian Streams Research Journal, Vol. XV, Issue. VI, http://isrj.org/UploadedData/11395.pdf References : - Tolan DA, Kashar TI, Yoshizawa K, El‐Nahas AM. Synthesis, spectral characterization, density functional theory studies, and biological screening of some transition metal complexes of a novel hydrazide–hydrazone ligand of isonicotinic acid. Applied Organometallic Chemistry. 2021 Jun;35(6):e6205.
- Hashem HE, Mohamed EA, Farag AA, Negm NA, Azmy EA. New heterocyclic Schiff base‐ metal complex: Synthesis, characterization, density functional theory study, and antimicrobial evaluation. Applied Organometallic Chemistry. 2021 Sep;35(9):e6322.
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