prof. dr. ir. Veronique Van Speybroeck
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- 2016
- Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations
- DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
- Ab initio study of the trapping of polonium on noble metals
- Acidity constant (pKa) calculation of large solvated dye molecules : evaluation of two advanced molecular dynamics methods
- Minimal basis iterative stockholder : atoms in molecules for force-field development
- Influence of solvation and dynamics on the mechanism and kinetics of nucleophilic aromatic substitution reactions in liquid ammonia
- Halochromic properties of sulfonphthaleine dyes in a textile environment: the influence of substituents
- Ligand addition energies and the stoichiometry of colloidal nanocrystals
- Mechanical energy storage performance of an aluminum fumarate metal-organic framework
- Understanding light-absorption in MOFs : combined experimental and theoretical study of UiO-66 type frameworks