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43 ta ish

Ish: Theoretical studies on Copper(II) complexes based on different carboxylate ligands: Hirshfeld surface analysis and molecular docking studies

  1. <i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

    Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon +4

    MaqolaOchiq kirish2021102 iqtibos
    ABI

  2. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200880 iqtibos
    ABI

  3. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

    Oleg Trott, Arthur J. Olson

    MaqolaOchiq kirish200939 iqtibos
    ABI

  4. Preparation, structures and antimicrobial activity of four different type metal complexes on the base of diethanolamine and o-nitrobenzoic acid

    Aziz B. Ibragimov, Jamshid Ashurov, Б. Т. Ибрагимов +1

    Maqola201614 iqtibos
    ABI

  5. Synthesis, crystal structure and Hirshfeld surface analysis of the binuclear Cu(II) complex with 4-nitrobenzoic acid and triethanolamine

    Oybek Khudoyberganov, Abror Kh. Ruzmetov, Aziz B. Ibragimov +4

    MaqolaMetal complexes synthesis and propertiesChemical Data Collections202112 iqtibos
    ABI

  6. The role of hydrogen bonding in π···π stacking interactions in Ni(II) complex derived from triethanolamine: synthesis, crystal structure, antimicrobial, and DFT studies

    Muddasra Rubab, Muhammad Nadeem Akhtar, Wiktor Zierkiewicz +7

    Maqola20197 iqtibos
    ABI

  7. Novel tools for visualizing and exploring intermolecular interactions in molecular crystals

    Joshua J. McKinnon, Mark A. Spackman, Anthony S. Mitchell

    Maqola20046 iqtibos
    ABI

  8. Synthesis, crystal structure and biological activity of a cobalt(II) complex of N,N,N′,N′-tetrakis(2-hydroxypropyl) ethylenediamine

    Muhammad Nadeem Akhtar, William T. A. Harrison, Muhammad Shahid +3

    Maqola20165 iqtibos
    ABI

  9. Synthesis, crystal structure, DFT calculations, molecular docking study and Hirshfeld surface analysis of alkoxido-bridged dinuclear iron(III) complex

    Muhammad Nadeem Akhtar, Murad A. AlDamen, Wiktor Zierkiewicz +4

    Maqola20203 iqtibos
    ABI

  10. Iron (III) complex exhibiting efficient catechol oxidase activity: Experimental, kinetic and theoretical approach

    Muhammad Nadeem Akhtar, M. Shahid, M. Shahwaz Ahmad +5

    Maqola20213 iqtibos
    ABI

  11. Novel {Cu<sub>4</sub>} and {Cu<sub>4</sub>Cd<sub>6</sub>} clusters derived from flexible aminoalcohols: synthesis, characterization, crystal structures, and evaluation of anticancer properties

    Khushboo Iman, Md Kausar Raza, Mursaleem Ansari +8

    MaqolaOchiq kirish20213 iqtibos
    ABI

  12. Use of π–π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses

    Saikat Kumar Seth, Debayan Sarkar, Tanusree Kar

    Maqola20113 iqtibos
    ABI

  13. Elucidating the contribution of solvent on the catecholase activity in a mononuclear Cu(II) system: An experimental and theoretical approach

    M. Shahid, I. Mantasha, Shabnam Khan +8

    Maqola20213 iqtibos
    ABI

  14. Synthesis, сrystal structure and Hirshfeld surface analysis of ciprofloxacinium tetrachlorocadmium dihydrate

    Aygul D. Kudiyarova, Jamshid Ashurov, Aziz B. Ibragimov +2

    MaqolaCrystal structures of chemical compoundsChemical Data Collections20202 iqtibos
    ABI

  15. Structure, DFT studies and evaluation of catechol oxidase (CO) mimic activity of mononuclear Co(II) complexes derived from aminoalcohols: an experimental and theoretical approach

    I. Mantasha, Mohd Zeeshan, Oval Yadav +5

    Maqola20212 iqtibos
    ABI

  16. Molecular flexibility in ab initio drug docking to DNA: binding-site and binding-mode transitions in all-atom Monte Carlo simulations

    Remo Rohs

    Maqola20052 iqtibos
    ABI

  17. Sarlavhasiz

    Boshqa2 iqtibos
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    Boshqa1 iqtibos
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