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37 ta ish

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

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

    George M. Sheldrick

    Maqola2014162 iqtibos
    ABI

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

    George M. Sheldrick

    Maqola2014119 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

    Maqola198884 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

  5. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200861 iqtibos
    ABI

  6. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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

    Maqola200735 iqtibos
    ABI

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

    Oleg Trott, Arthur J. Olson

    Maqola200929 iqtibos
    ABI

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

    Axel D. Becke

    Maqola198825 iqtibos
    ABI

  9. Structure validation in chemical crystallography

    Anthony L. Spek

    Maqola200925 iqtibos
    ABI

  10. <i>WinGX</i>and<i>ORTEP for Windows</i>: an update

    Louis J. Farrugia

    Maqola20127 iqtibos
    ABI

  11. Bonded-atom fragments for describing molecular charge densities

    F. L. Hirshfeld

    Maqola19776 iqtibos
    ABI

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

    P. Jeffrey Hay, Willard R. Wadt

    Maqola19855 iqtibos
    ABI

  13. Visualisation and characterisation of voids in crystalline materials

    Michael J. Turner, Joshua J. McKinnon, Dylan Jayatilaka +1

    Maqola20105 iqtibos
    ABI

  14. Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid

    Perumal Venkatesan, Subbiah Thamotharan, Andivelu Ilangovan +2

    Maqola20155 iqtibos
    ABI

  15. Quantitative analysis of intermolecular interactions in orthorhombic rubrene

    Venkatesha R. Hathwar, Mattia Sist, Mads R. V. Jørgensen +6

    Maqola20154 iqtibos
    ABI

  16. Diaquabis(2-bromobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i><sup>1</sup>)zinc(II)

    Tuncer Hökelek, Hakan Dal, B. Tercan +2

    Maqola20092 iqtibos
    ABI

  17. Synthesis, structural, spectroscopic characterization, and structural comparison of 3-hydroxybenzoate and nicotinamide/N,N-diethylnicotinamide mixed ligand complexes with Zn(II)

    Dursun Ali Köse, H. Necefoğlu, Onur Şahın +1

    Maqola20112 iqtibos
    ABI

  18. Sarlavhasiz

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  22. Sarlavhasiz

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  23. Sarlavhasiz

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  25. Sarlavhasiz

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