Pierre MARMEY | IFPEN Thèses

pierre.marmey2@ifpen.fr

Thèse

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Published on 2023-12-12

Evaluation of the catalytic reaction constants of alcohols dehydration by a combined machine learning-quantum chemistry approach.

The advent of Machine Learning techniques (ML) is stimulating modern computational chemistry. This methodology may open avenues to address challenging ...

Physical Sciences and Physico-chemistry Catalysis, Biocatalysis and Separation Lyon