Asosiy kontentga oʻtish
AkademIndex

Xizmatlar

← Ishga qaytish

Ushbu ish iqtibos qilgan ishlar

72 ta ish

Ish: Synthesis, crystal structures, DFT calculations, and hirshfeld surface analysis of tris(quinolin-8-olato-κ²N,O)cobalt(III) acetic acid monosolvate and Bis(μ-quinolin-8-olato-κ²N,O)diaquabis(nitrato-κ²O,O′)dinickel(II) complexes

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

    George M. Sheldrick

    MaqolaOchiq kirish2014144 iqtibos
    ABI

  2. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  3. 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

  4. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199691 iqtibos
    ABI

  5. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200879 iqtibos
    ABI

  6. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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

    Maqola200742 iqtibos
    ABI

  7. <i>Mercury 4.0</i>: from visualization to analysis, design and prediction

    Clare F. Macrae, Ioana Şovago, Simon J. Cottrell +8

    MaqolaOchiq kirish201937 iqtibos
    ABI

  8. Effect of the damping function in dispersion corrected density functional theory

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201132 iqtibos
    ABI

  9. Density-functional exchange-energy approximation with correct asymptotic behavior

    Axel D. Becke

    Maqola198829 iqtibos
    ABI

  10. CB-Dock2: improved protein–ligand blind docking by integrating cavity detection, docking and homologous template fitting

    Yang Liu, Xiaocong Yang, Jianhong Gan +3

    Maqola202223 iqtibos
    ABI

  11. The Protein Data Bank

    Helen M. Berman

    MaqolaOchiq kirish200020 iqtibos
    ABI

  12. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

    Florian Weigend, Reinhart Ahlrichs

    Maqola200519 iqtibos
    ABI

  13. 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

  14. Two new 8-hydroxyquinoline derivatives as an efficient corrosion inhibitors for mild steel in hydrochloric acid: Synthesis, electrochemical, surface morphological, UV–visible and theoretical studies

    Mohamed Rbaa, F. Benhiba, I.B. Obot +4

    Maqola201811 iqtibos
    ABI

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

    Peter Politzer, Jane S. Murray

    Maqola200210 iqtibos
    ABI

  16. Software update: The <scp>ORCA</scp> program system—Version 5.0

    Frank Neese

    Maqola20227 iqtibos
    ABI

  17. 8-Hydroxyquinolines in medicinal chemistry: A structural perspective

    Valentina Oliveri, Graziella Vecchio

    Sharh maqola20164 iqtibos
    ABI

  18. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

    Andreas Klamt, Gerrit Schüürmann

    Maqola19934 iqtibos
    ABI

  19. Metal organic framework based fluorescence sensor for detection of antibiotics

    Murugavelu Marimuthu, Selva Sharma Arumugam, Sabarinathan Devaraj +2

    Maqola20214 iqtibos
    ABI

  20. PubChem 2025 update

    Sunghwan Kim, Jie Chen, Tiejun Cheng +10

    Maqola20244 iqtibos
    ABI

  21. 8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>′)copper(II) dihydrate

    Yusufjon Nazarov, Khayit Khudainazarovich Turaev, Jabbor Ruziboevich Suyunov +4

    MaqolaOchiq kirishCrystal structures of chemical compoundsActa Crystallographica Section E Crystallographic Communications20243 iqtibos
    ABI

  22. The Role of Frontier Orbitals in Chemical Reactions (Nobel Lecture)

    Kenichi Fukui

    Maqola19823 iqtibos
    ABI

  23. Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ<sup>2</sup> <i>O</i> <sup>1</sup>:<i>O</i> <sup>1′</sup>)bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)] dimethylformamide disolvate

    Mavlonbek Ziyaev, Jamshid Ashurov, Alisher G. Eshimbetov +1

    MaqolaOchiq kirishMetal-Organic Frameworks: Synthesis and ApplicationsActa Crystallographica Section E Crystallographic Communications20212 iqtibos
    ABI

  24. Preparation and Study of the Crystal Structure of a Complex Compound Based on Cobalt, 1,5-Disulfonaphthalene, and Ethylenediamine

    Zh. R. Suyunov, Kh. Kh. Turaev, Sh. A. Kasimov +2

    MaqolaCrystal structures of chemical compoundsCrystallography Reports20242 iqtibos
    ABI

  25. Synthesis of mononuclear Ni(II) and binuclear Cu(II) complexes from pyridine-2, crystal structure and Hirschfeld surface analysis, 6-dicarboxylic acid with monothenolamine and hydrochloric acid solution

    Khayit Turaev, Yusufjon Nazarov, Abdukadir Kh. Tashkulov +7

    MaqolaMetal complexes synthesis and propertiesStructural Chemistry20252 iqtibos
    ABI