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  1. Lukas Krep - Novel Acceleration Methods and Improved Transition State Finding Approaches for the Automatic Exploration of Reaction Networks, Häftad. Tillgänglighet: Lägg i varukorg

    Novel Acceleration Methods and Improved Transition State Finding Approaches for the Automatic Exploration of Reaction Networks

    Av Lukas Krep

    Häftad, 2023

    590 kr

    Lägg i varukorg

    Reaction models are important for many engineering tasks, such as the optimization of internal combustion engines or production lines in the chemical industry. The automated reaction space exploration method ChemTraYzer attempts to alleviate the often time-consuming reaction model development …