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42 ta ish

Ish: Crystal structure and interaction energy framework analysis of a bioactive Mo(VI) coordination compound

  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>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

  9. Recent Developments in the Methods and Applications of the Bond Valence Model

    I. D. Brown

    Sharh maqola200912 iqtibos
    ABI

  10. <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

    Maqola198510 iqtibos
    ABI

  11. Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database

    I. D. Brown, D. Altermatt

    Maqola19857 iqtibos
    ABI

  12. Sarlavhasiz

    Boshqa6 iqtibos
    ABI

  13. “AquaF” Building Blocks for Water-Compatible S<sub>N</sub>2 <sup>18</sup>F-Fluorination of Small-Molecule Radiotracers

    Zhaobiao Mou, Yiwei Zhu, Lei Zhang +9

    Maqola20245 iqtibos
    ABI

  14. Sarlavhasiz

    Boshqa5 iqtibos
    ABI

  15. Direct and solvent-assisted thione–thiol tautomerism in 5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione: Experimental and molecular modeling study

    N. Burcu Arslan, Namık Özdemir, Osman Dayan +4

    Maqola20143 iqtibos
    ABI

  16. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  17. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  20. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI