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Ish: Syntheses, crystal structures, and DFT calculations of N'-(Pyridin-2-ylmethylene)nicotinohydrazide dihydrate and its copper complex

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

    Axel D. Becke

    Maqola199399 iqtibos
    ABI

  5. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200879 iqtibos
    ABI

  6. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    MaqolaOchiq kirish196559 iqtibos
    ABI

  7. Sarlavhasiz

    Boshqa52 iqtibos
    ABI

  8. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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

    Maqola200742 iqtibos
    ABI

  9. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

    R. Krishnan, J. Stephen Binkley, Rolf Seeger +1

    Maqola198032 iqtibos
    ABI

  10. Structure validation in chemical crystallography

    Anthony L. Spek

    MaqolaOchiq kirish200930 iqtibos
    ABI

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

    Axel D. Becke

    Maqola198829 iqtibos
    ABI

  12. Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals

    Joel Bernstein, R. Davis, Liat Shimoni +1

    Maqola199517 iqtibos
    ABI

  13. Bonded-atom fragments for describing molecular charge densities

    F. L. Hirshfeld

    Maqola197712 iqtibos
    ABI

  14. Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

    Michael J. Frisch, John A. Pople, J. Stephen Binkley

    Maqola198410 iqtibos
    ABI

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

    Louis J. Farrugia

    Maqola20129 iqtibos
    ABI

  16. Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

    Michał H. Jamróz

    Maqola20138 iqtibos
    ABI

  17. Visualisation and characterisation of voids in crystalline materials

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

    Maqola20106 iqtibos
    ABI

  18. Infrared Spectroscopy: Fundamentals and Applications

    Barbara H. Stuart

    Kitob20046 iqtibos
    ABI

  19. 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

  20. Quantitative analysis of intermolecular interactions in orthorhombic rubrene

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

    Maqola20154 iqtibos
    ABI

  21. Metal complexes of Schiff base: Preparation, characterization and antibacterial activity

    Emad͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏ Yousif, Ahmed Majeed, Khulood W. Al-Sammarrae +3

    Maqola20133 iqtibos
    ABI

  22. 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

  23. Introduction to spectroscopy : a guide for students of organic chemistry

    Donald L. Pavia, Gary M. Lampman, George S. Kriz

    Kitob19962 iqtibos
    ABI

  24. Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

    Walter J. Stevens, Morris Krauss, Harold Basch +1

    Maqola19922 iqtibos
    ABI

  25. New Developments in Molecular Orbital Theory

    Clemens Roothaan

    Maqola19512 iqtibos
    ABI