prof. dr. ir. Veronique Van Speybroeck
work address
Technologiepark Zwijnaarde 903
9052 Zwijnaarde
9052 Zwijnaarde
ORCID iD
0000-0003-2206-178X1 – 10 of 455
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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
- Facile synthesis of cooperative acid-base catalysts by clicking cysteine and cysteamine on an ethylene-bridged periodic mesoporous organosilica
- Towards molecular control of elementary reactions in zeolite catalysis by advanced molecular simulations mimicking operating conditions
- Ligand Addition Energy and the Stoichiometry of Colloidal Nanocrystals
- Ab initio study of the trapping of polonium on noble metals
- Is the error on first-principles volume predictions absolute or relative?
- Vibrational fingerprint of the absorption properties of UiO-type MOF materials
- Reproducibility in density functional theory calculations of solids
- Insight into the effect of water on the methanol-to-olefins conversion in H-SAPO-34 from molecular simulations and in situ microspectroscopy