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36 ta ish

Ish: Energy-framework analysis and electronic structure correlation in trans-diaquabis(5-methylthiazole-2-carboxylato-κN,O)nickel(II)

  1. Crystal structure refinement with<i>SHELXL</i>

    George M. Sheldrick

    MaqolaOchiq kirish2014189 iqtibos
    ABI

  2. <i>SHELXT</i>– Integrated space-group and crystal-structure determination

    George M. Sheldrick

    MaqolaOchiq kirish2014144 iqtibos
    ABI

  3. <i>OLEX2</i>: a complete structure solution, refinement and analysis program

    Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea +2

    Maqola2009114 iqtibos
    ABI

  4. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    MaqolaOchiq kirish1988107 iqtibos
    ABI

  5. <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

  6. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Maqola199399 iqtibos
    ABI

  7. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200879 iqtibos
    ABI

  8. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

    Joshua J. McKinnon, Dylan Jayatilaka, Mark A. Spackman

    Maqola200742 iqtibos
    ABI

  9. <i>CrystalExplorer</i>model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

    Campbell F. R. Mackenzie, Peter R. Spackman, Dylan Jayatilaka +1

    MaqolaOchiq kirish201727 iqtibos
    ABI

  10. Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

    Avazbek B. Ibragimov, Jamshid Ashurov, Aziz B. Ibragimov +1

    MaqolaOchiq kirishNonlinear Optical Materials ResearchJournal of Chemical Crystallography202014 iqtibos
    ABI

  11. 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

  12. Synthesis, structure, and fungicidal activity of mono- and binuclear mixed-ligand copper complex with p-nitrobenzoic acid and monoethanolamine

    Aziz B. Ibragimov, Jamshid Ashurov, Zh. Tashpulatov

    MaqolaMetal complexes synthesis and propertiesRussian Journal of Coordination Chemistry201712 iqtibos
    ABI

  13. The fundamental nature and role of the electrostatic potential in atoms and molecules

    Peter Politzer, Jane S. Murray

    Maqola200210 iqtibos
    ABI

  14. Zinc-based solvents free coordination complexes: Synthesis, structures, photoluminous properties, DFT calculations and Hirshfeld surface analysis

    Hafsa Saleem, Muhammad Nadeem Akhtar, Rahman Bikas +5

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsJournal of Molecular Structure20239 iqtibos
    ABI

  15. Switch on amine substrate reactivity towards hexaazaisowurtzitane cage: Insights from a tailored machine learning model

    Kaile Dou, Weibo Zhao, Chenyue Wang +4

    Maqola20249 iqtibos
    ABI

  16. Perchlorate-supported Cu(<scp>ii</scp>)-based 1D polymeric chains containing 1,10-phenanthroline: synthesis, characterization and adsorption of organic dyes and heavy metal ions

    Suhair A. Bani‐Atta, Amna Siddique, Muhammad Naveed Qasim +5

    MaqolaChemical Analysis and Environmental ImpactCrystEngComm20257 iqtibos
    ABI

  17. X-Ray Structures of Three Polymeric and Two Mononuclear Metal Complexes on the Base of p-Aminobenzoic Acid

    Aziz B. Ibragimov, Jamshid Ashurov, B.S. Zakirov

    Maqola20167 iqtibos
    ABI

  18. Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals

    Michael J. Turner, Sajesh P. Thomas, M. Shi +2

    Maqola20146 iqtibos
    ABI

  19. Hydrogen-bonded supramolecular architecture in nonlinear optical ammonium 2,4-dinitrophenolate hydrate

    A. Aditya Prasad, SP. Meenakshisundaram

    Maqola20155 iqtibos
    ABI

  20. Natural bond orbital methods

    Eric D. Glendening, Clark R. Landis, Frank Weinhold

    Maqola20114 iqtibos
    ABI

  21. Hyperpolarizability, Hirshfeld, and density functional theory computations of a nonlinear optical picrate

    R. Agilandeswari, A. Aditya Prasad, S. Sivaraman +2

    Maqola20163 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  24. Crystal growth, structure and characterization of diglycine zinc dipicrate: Centrosymmetric crystal exhibiting second harmonic generation efficiency

    S. Sivaraman, C. Balakrishnan, A. Aditya Prasad +3

    Maqola20172 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa2 iqtibos
    ABI