M. Waroquier

Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations as a model for amide hydrolysis in proteins

B. De Sterck, S. Catak, M. Waroquier, V. Van Speybroeck
Poster

Conference / event / venue 

13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09)
Lyon, France
Monday, 31 August, 2009 to Friday, 4 September, 2009

Theoretical identification of the interactions between the zeolite framework and the hydrocarbon pool in methanol-to-olefin conversion

D. Lesthaeghe, V. Van Speybroeck, M. Waroquier
Poster

Conference / event / venue 

13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics
Lyon, France
Monday, 31 August, 2009 to Friday, 4 September, 2009

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