ereprof. dr. Michel Waroquier
work address
Technologiepark Zwijnaarde 903
9052 Zwijnaarde
9052 Zwijnaarde
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- 2018
- Thermodynamic insight into stimuli-responsive behavior of soft porous crystals
- 2017
- Theoretical tool box for a better catalytic understanding
- The remarkable amphoteric nature of defective UiO-66 in catalytic reactions
- The Monomer Electron Density Force Field (MEDFF) : a physically inspired model for noncovalent interactions
- Methane adsorption in Zr-based MOFs : comparison and critical evaluation of force fields
- Correction to “Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites”
- Nature of active sites on UiO-66 and beneficial influence of water in the catalysis of Fischer esterification
- Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
- Efficient construction of free energy profiles of breathing metal–organic frameworks using advanced molecular dynamics simulations
- 2016
- On the stability and nature of adsorbed pentene in Bronsted acid zeolite H-ZSM-5 at 323 K
- Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations
- Minimal basis iterative stockholder : atoms in molecules for force-field development
- Ab initio study of the trapping of polonium on noble metals
- Effect of Lewis acids on the stereoregularity of N,N-dimethyl acrylamide: a computational approach
- Thermodynamic insight in the high-pressure behavior of UiO-66: effect of linker defects and linker expansion