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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 …