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Ушбу иш иқтибос қилган ишлар

68 та иш

Иш: Tetrahydroisoquinoline derivative: Design, synthesis, characterization, crystal structure investigation, and computational studies approach

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

    George M. Sheldrick

    Мақола2014162 иқтибос
    ABI

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

    George M. Sheldrick

    Мақола2014119 иқтибос
    ABI

  3. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  4. 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

  5. The Cambridge Structural Database

    Colin R. Groom, Ian Bruno, Matthew P. Lightfoot +1

    Мақола201682 иқтибос
    ABI

  6. <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

    Мақола202177 иқтибос
    ABI

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

    Axel D. Becke

    Мақола199374 иқтибос
    ABI

  8. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Мақола200861 иқтибос
    ABI

  9. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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

    Мақола200735 иқтибос
    ABI

  10. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

    Marcus D. Hanwell, Donald Curtis, David Lonie +3

    Мақола201233 иқтибос
    ABI

  11. Structure validation in chemical crystallography

    Anthony L. Spek

    Мақола200925 иқтибос
    ABI

  12. <i>Mercury</i>: visualization and analysis of crystal structures

    Clare F. Macrae, Paul R. Edgington, Patrick McCabe +5

    Мақола200617 иқтибос
    ABI

  13. The Protein Data Bank

    Helen M. Berman

    Мақола200015 иқтибос
    ABI

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

    Joel Bernstein, R. Davis, Liat Shimoni +1

    Мақола199515 иқтибос
    ABI

  15. <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

    Мақола201714 иқтибос
    ABI

  16. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

    Garrett M. Morris, Ruth Huey, William Lindstrom +4

    Мақола200912 иқтибос
    ABI

  17. Revealing Noncovalent Interactions

    Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez +3

    Мақола20109 иқтибос
    ABI

  18. The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis

    Christian Jelsch, Krzysztof Ejsmont, Loïc Huder

    Мақола20148 иқтибос
    ABI

  19. Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

    Tian Lu, Feiwu Chen

    Мақола20127 иқтибос
    ABI

  20. Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

    A. D. McLean, G. S. Chandler

    Мақола19807 иқтибос
    ABI

  21. General definition of ring puckering coordinates

    Dieter Cremer, J. A. Pople

    Мақола19757 иқтибос
    ABI

  22. Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

    B. Miehlich, Andreas Savin, Hermann Stoll +1

    Мақола19897 иқтибос
    ABI

  23. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

    G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day +2

    Мақола20135 иқтибос
    ABI

  24. A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

    Antoine Daina, Vincent Zoete

    Мақола20165 иқтибос
    ABI

  25. Novel tools for visualizing and exploring intermolecular interactions in molecular crystals

    Joshua J. McKinnon, Mark A. Spackman, Anthony S. Mitchell

    Мақола20045 иқтибос
    ABI