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Showing 1–6 of 6 results
Advanced filters: Author: Per-Ola Norrby Clear advanced filters

  • Computational models that predict the selectivity of reactions are typically accurate for only a specific reaction type and a narrow range of reaction components. A more general model has now been reported.

    • Per-Ola Norrby
    News & Views
    Nature
    Volume: 571, P: 332-333

  • Predicting highly enantioselective ligands for a given asymmetric catalytic reaction is very challenging, but could greatly reduce the need for high-throughput, trial-and-error experimentation. Here, the authors report a freely available, automated tool to identify appropriate chiral ligands for given substrates in asymmetric catalysis.

    • Anthony R. Rosales
    • Jessica Wahlers
    • Per-Ola Norrby
    Research
    Nature Catalysis
    Volume: 2, P: 41-45

  • 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

  • Following a progression from quantum mechanics to modern data-driven methods, this Review presents the methodological spectrum of modelling organic reactions.

    • Kjell Jorner
    • Anna Tomberg
    • Per-Ola Norrby
    Reviews
    Nature Reviews Chemistry
    Volume: 5, P: 240-255