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5 ta ish

Ish: <i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

  1. Transition metal complexes of Thiadiazole-Picolinic acid: Crystal structures, DFT insights and anticancer activity

    Bаtirbаy Tоrаmbеtоv, Gulnaz Khojabaeva, M.K. Bharty +5

    MaqolaMetal complexes synthesis and propertiesJournal of Molecular Structure20252 iqtibos
    ABI

  2. Mono- and di-nuclear nickel(<scp>ii</scp>) complexes derived from NNO donor ligands: syntheses, crystal structures and magnetic studies of dinuclear analogues

    Pravat Ghorai, Anindita Chakraborty, Anangamohan Panja +2

    MaqolaMagnetism in coordination complexesRSC Advances20161 iqtibos
    ABI

  3. Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [V<sup>IV</sup>O(β-diketonate)<sub>2</sub>] with 2-aminobenzoylhydrazide in aerobic and anaerobic conditions

    Nirmalendu Biswas, Debashis Patra, Bipul Mondal +7

    MaqolaVanadium and Halogenation ChemistryDalton Transactions20170 iqtibos
    ABI

  4. Unveiling the structural and electronic features of a hexamethylenetetramine complex of zinc 3-hydroxybenzoate: crystal structure, hirshfeld surface, DFT, and molecular docking studies

    Giray Buğra Akbaba, Füreya Elif Öztürkkan, Elaheh Teymouri +2

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsInorganica Chimica Acta20250 iqtibos
    ABI

  5. Molecular Docking and DFT-Based Evaluation of Pyridine-2-Carbothioamide First-Row Transition-Metal Complexes Targeting Topoisomerase IIα

    Mehribon Pirimova, Masud Karimov, Djalilov Turapovich Abdulahat +5

    MaqolaCancer therapeutics and mechanismsBiomedical & Pharmacology Journal20260 iqtibos
    ABI