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32 ta ish

Ish: Crystal structure, supramolecular organization, experimental–DFT investigation and germination-promoting activity of 2-hydroxyethanaminium 2-hydroxy-5-nitrobenzoate

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

    George M. Sheldrick

    Maqola2014179 iqtibos
    ABI

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

    George M. Sheldrick

    Maqola2014138 iqtibos
    ABI

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

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

    Maqola2009108 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

    Maqola198899 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

    Maqola202196 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199390 iqtibos
    ABI

  7. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200873 iqtibos
    ABI

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

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

    Maqola201933 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

    Maqola201723 iqtibos
    ABI

  10. The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment –<i>Olex2</i>dissected

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

    Maqola201413 iqtibos
    ABI

  11. Density-Functional Theory for Time-Dependent Systems

    Erich Runge, E. K. U. Gross

    Maqola198410 iqtibos
    ABI

  12. Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives

    Frank Weinhold

    Maqola201210 iqtibos
    ABI

  13. Palladium-Catalyzed Aminosulfonylation of <i>ortho</i>-Iodoanilines with the Insertion of Sulfur Dioxide for the Synthesis of 3,4-Dihydro-benzothiadiazine 1,1-Dioxides

    Zhenjie Qi, Simiaomiao Wen, Hao Li +2

    Maqola20238 iqtibos
    ABI

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

    Louis J. Farrugia

    Maqola20128 iqtibos
    ABI

  15. Physisorption Behaviors of Organochlorine Pesticides on the InP<sub>3</sub> Monolayer from Theoretical Insight

    Xin Qin, Hao Cui, Qiulan Zhou

    Maqola20237 iqtibos
    ABI

  16. Sarlavhasiz

    Boshqa6 iqtibos
    ABI

  17. Structures of four organic acid-base adducts from 4-aminoantipyrine, 3,5-dinitrobenzoic acid, anthranilic acid, 5-nitrosalicylic acid, and 1, 5-naphthalenedisulfonic acid

    Bin Chen, Wen Ye, Zhihang Li +4

    Maqola20213 iqtibos
    ABI

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

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

    Maqola20163 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI