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Работы, на которые ссылается эта работа

Работ: 68

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

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

    George M. Sheldrick

    Статья2014Цитирований: 162
    ABI

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

    George M. Sheldrick

    Статья2014Цитирований: 119
    ABI

  3. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Статья2011Цитирований: 110
    ABI

  4. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Статья1988Цитирований: 84
    ABI

  5. The Cambridge Structural Database

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

    Статья2016Цитирований: 82
    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

    Статья2021Цитирований: 77
    ABI

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

    Axel D. Becke

    Статья1993Цитирований: 74
    ABI

  8. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Статья2008Цитирований: 61
    ABI

  9. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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

    Статья2007Цитирований: 35
    ABI

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

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

    Статья2012Цитирований: 33
    ABI

  11. Structure validation in chemical crystallography

    Anthony L. Spek

    Статья2009Цитирований: 25
    ABI

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

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

    Статья2006Цитирований: 17
    ABI

  13. The Protein Data Bank

    Helen M. Berman

    Статья2000Цитирований: 15
    ABI

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

    Joel Bernstein, R. Davis, Liat Shimoni +1

    Статья1995Цитирований: 15
    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

    Статья2017Цитирований: 14
    ABI

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

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

    Статья2009Цитирований: 12
    ABI

  17. Revealing Noncovalent Interactions

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

    Статья2010Цитирований: 9
    ABI

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

    Christian Jelsch, Krzysztof Ejsmont, Loïc Huder

    Статья2014Цитирований: 8
    ABI

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

    Tian Lu, Feiwu Chen

    Статья2012Цитирований: 7
    ABI

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

    A. D. McLean, G. S. Chandler

    Статья1980Цитирований: 7
    ABI

  21. General definition of ring puckering coordinates

    Dieter Cremer, J. A. Pople

    Статья1975Цитирований: 7
    ABI

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

    B. Miehlich, Andreas Savin, Hermann Stoll +1

    Статья1989Цитирований: 7
    ABI

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

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

    Статья2013Цитирований: 5
    ABI

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

    Antoine Daina, Vincent Zoete

    Статья2016Цитирований: 5
    ABI

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

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

    Статья2004Цитирований: 5
    ABI