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62 works

Work: Synthesis, Crystal Structure, Spectroscopic Characterization, and Computational Insights into a 5,6,7,8‐Tetrahydroisoquinoline Derivative with Naphthyl Substituent

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

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    Article2014162 citations
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  2. <i>SHELXT</i>– Integrated space-group and crystal-structure determination

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  3. The Cambridge Structural Database

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  4. <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

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  5. Hirshfeld surface analysis

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  6. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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

    Article200735 citations
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  7. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    Article200729 citations
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  8. Structure validation in chemical crystallography

    Anthony L. Spek

    Article200925 citations
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  9. Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals

    Joel Bernstein, R. Davis, Liat Shimoni +1

    Article199515 citations
    ABI

  10. General definition of ring puckering coordinates

    Dieter Cremer, J. A. Pople

    Article19757 citations
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  11. Visualisation and characterisation of voids in crystalline materials

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

    Article20105 citations
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  12. Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

    Michael J. Turner, Simon Grabowsky, Dylan Jayatilaka +1

    Article20142 citations
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  13. Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-fluorophenyl)acetamide

    S. Subasri, T.A. Kumar, Barij Nayan Sinha +3

    Article20172 citations
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  14. Two new tetrahydroisoquinoline alkaloids from Portulaca oleracea

    Kai-Jun Tang, Yu Chen, Jing Li +9

    Article20222 citations
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  15. Crystal structure, Hirshfeld surface analysis, computational study and molecular docking simulation of 4-aminoantipyrine derivative

    Muhammad Nawaz Tahir, Muhammad Ashfaq, Mehran Feizi‐Dehnayebi +5

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