V. Van Speybroeck

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

Poster

Conference / event / venue 

Multiscale Molecular Modelling: Molecular Dynamics, Computational Statistical Mechanics, and Simulation Algorithms
Edinburgh, Scotland
Wednesday, 30 June, 2010 to Saturday, 3 July, 2010

Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics

P 140-144
Poster

Conference / event / venue 

MOF2010 conference
Marseille, France
Sunday, 5 September, 2010 to Wednesday, 8 September, 2010

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