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Showing 1–2 of 2 results
Advanced filters: Author: Mihai Burai Patrascu Clear advanced filters

  • The capability and importance of computational methods in organic chemistry is steadily increasing. This Review provides an overview of computational methods for the design of asymmetric catalysts, with the aim of avoiding specialist computational language to make the field more accessible to experimental chemists.

    • Sharon Pinus
    • Jérôme Genzling
    • Nicolas Moitessier
    Reviews
    Nature Catalysis
    Volume: 7, P: 1272-1287

  • Computational chemistry has remained largely inaccessible to the experimental chemistry community. Here we report the VIRTUAL CHEMIST, a software suite free for academic use, that enables organic chemists without expertise in computational chemistry to perform virtual screening experiments for asymmetric catalyst discovery and design.

    • Mihai Burai Patrascu
    • Joshua Pottel
    • Nicolas Moitessier
    Research
    Nature Catalysis
    Volume: 3, P: 574-584