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Ушбу иш иқтибос қилган ишлар

72 та иш

Иш: 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

    Мақола2014119 иқтибос
    ABI

  2. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

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

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Мақола198884 иқтибос
    ABI

  4. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    ABI

  5. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Мақола200861 иқтибос
    ABI

  6. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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

    Мақола200735 иқтибос
    ABI

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

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

    Мақола201930 иқтибос
    ABI

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

    Axel D. Becke

    Мақола198825 иқтибос
    ABI

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

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Мақола201125 иқтибос
    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

    Мақола202217 иқтибос
    ABI

  11. 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

    Мақола200515 иқтибос
    ABI

  12. The Protein Data Bank

    Helen M. Berman

    Мақола200015 иқтибос
    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

    МақолаNonlinear Optical Materials ResearchJournal of Chemical Crystallography202013 иқтибос
    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

    Мақола201810 иқтибос
    ABI

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

    Peter Politzer, Jane S. Murray

    Мақола20028 иқтибос
    ABI

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

    Frank Neese

    Мақола20226 иқтибос
    ABI

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

    Valentina Oliveri, Graziella Vecchio

    Шарҳ мақола20164 иқтибос
    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

    Мақола19934 иқтибос
    ABI

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

    Murugavelu Marimuthu, Selva Sharma Arumugam, Sabarinathan Devaraj +2

    Мақола20214 иқтибос
    ABI

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

    Kenichi Fukui

    Мақола19823 иқтибос
    ABI

  21. 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

    МақолаMetal-Organic Frameworks: Synthesis and ApplicationsActa Crystallographica Section E Crystallographic Communications20212 иқтибос
    ABI

  22. 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

    МақолаCrystal structures of chemical compoundsCrystallography Reports20242 иқтибос
    ABI

  23. 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

    МақолаCrystal structures of chemical compoundsActa Crystallographica Section E Crystallographic Communications20242 иқтибос
    ABI

  24. Absolute electronegativity and hardness correlated with molecular orbital theory

    Ralph G. Pearson

    Мақола19862 иқтибос
    ABI

  25. Synthesis, thermal behavior in oxidative and pyrolysis conditions, spectroscopic and DFT studies of some alkaline earth metals p-aminobenzoate complexes using TG-DTA, DSC, PXRD and EGA (TG-FTIR) techniques

    José Augusto Teixeira, Richard Perosa Fernandes, Guilherme Isquibola +4

    Мақола20222 иқтибос
    ABI