Design of Metal Organic Frameworks for the Catalytic Production of Fine Chemicals: a Combined Experimental and Computational Investigation T. Bogaerts Fri, 25/09/2015Het Pand, Onderbergen, Ghenthttp://hdl.handle.net/1854/LU-6958435Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Pascal Van Der Voort Read more about Design of Metal Organic Frameworks for the Catalytic Production of Fine Chemicals: a Combined Experimental and Computational Investigation
Explicit sampling of the unit cell shape for a more accurate estimation of the free energy profile for flexible crystals S. Caroes Master of Science in Physics and Astronomy2016Supervisors Prof. Dr. ir. A. Ghysels, Prof. Dr. ir. Veronique Van Speybroeck Read more about Explicit sampling of the unit cell shape for a more accurate estimation of the free energy profile for flexible crystals
Diffusion channels for small molecules in nanoporous systems with blocked sites P. Janssens Master of Science in Engineering Physics2016Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. An Ghysels Read more about Diffusion channels for small molecules in nanoporous systems with blocked sites
Impact of a mixed water methanol feed on olefin formation during the MTO process Y. Pauwels Master of Science in Chemical Engineering2016Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Impact of a mixed water methanol feed on olefin formation during the MTO process
First principles molecular dynamics study of the influence of acid strength on MTO conversion in H-SAPO-5 and H-SSZ-24 M. Matton Master of Science in Chemical Engineering2015Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Karen Hemelsoet Read more about First principles molecular dynamics study of the influence of acid strength on MTO conversion in H-SAPO-5 and H-SSZ-24
Computationele studie van de reactiviteit van 3-oxo-beta-lactamen J. De Moor Master of Science in Bioscience Engineering: Chemistry and Bioprocess Technology2016Supervisors Prof. Dr. ir. Matthias D'hooge, Prof. Dr. ir. Veronique Van Speybroeck Read more about Computationele studie van de reactiviteit van 3-oxo-beta-lactamen
Advanced Molecular Simulations of Reaction Mechanisms and Complex Reaction Environments in the Methanol to Olefins Process K. De Wispelaere Fri, 29/05/2015Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-6855146Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Advanced Molecular Simulations of Reaction Mechanisms and Complex Reaction Environments in the Methanol to Olefins Process
Development of Theoretical Tools to Accurately Determine Spectroscopic Properties Using Advanced Electronic Structure Methods A. Van Yperen-De Deyne Tue, 16/09/2014Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-5707761Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Karen Hemelsoet, Prof. Dr. Michel Waroquier Read more about Development of Theoretical Tools to Accurately Determine Spectroscopic Properties Using Advanced Electronic Structure Methods
Density Functional Theory as a tool to get more out of experimental data: case-studies for Al-Zn-O and for the interaction between Po and Pb-Bi-eutectic K. Rijpstra Fri, 29/08/2014Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghenthttp://hdl.handle.net/1854/LU-5731050Supervisors Prof. Dr. Stefaan Cottenier, Prof. Dr. ir. Veronique Van Speybroeck Read more about Density Functional Theory as a tool to get more out of experimental data: case-studies for Al-Zn-O and for the interaction between Po and Pb-Bi-eutectic
Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks J. Wieme Master of Science in Engineering Physics2015Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Stefaan Cottenier Read more about Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks