New Methods in Force-Field Development T. Verstraelen, V. Van Speybroeck PosterConference / event / venue Doctoral SymposiumGhent Univeristy, Faculty of Engineering, Ghent, BelgiumWednesday, 5 December, 2007 Read more about New Methods in Force-Field Development
Normal modes in partially optimized molecular systems A. Ghysels, D. Van Neck, V. Van Speybroeck, T. Verstraelen, M. Waroquier PosterConference / event / venue Doctoral SymposiumGhent Univeristy, Faculty of Engineering, Ghent, BelgiumWednesday, 5 December, 2007 Read more about Normal modes in partially optimized molecular systems
Temperature study of a glycine radical in the solid state adopting a DFT periodic approach E. Pauwels, T. Verstraelen, H. De Cooman, V. Van Speybroeck, M. Waroquier PosterConference / event / venue QCB8Hasselt, BelgiumFriday, 8 February, 2008 Read more about Temperature study of a glycine radical in the solid state adopting a DFT periodic approach
Theoretical investigation of silica nanoparticles in zeolite aggregation E. Naziga, D. Lesthaeghe, P. Vansteenkiste, T. Verstraelen, V. Van Speybroeck, M. Waroquier PosterConference / event / venue IXth Netherlands' Chemistry and Catalysis Conference (NCCC IX)Noordwijkerhout, The NetherlandsMonday, 3 March, 2008 to Wednesday, 5 March, 2008 Read more about Theoretical investigation of silica nanoparticles in zeolite aggregation
Adsorption behaviour of xylene isomers in MIL-47 from a theoretical perspective M. Vandichel, V. Van Speybroeck, T. Verstraelen, L. Alaerts, D. De Vos, M. Waroquier PosterConference / event / venue inGAP NANOCAT Summerschool 2009Trondheim, NorwaySunday, 21 June, 2009 to Friday, 26 June, 2009 Read more about Adsorption behaviour of xylene isomers in MIL-47 from a theoretical perspective
Influence of protein environment on the EPR properties of flavoprotein radicals: a QM/MM study E. Pauwels, T. Verstraelen, B. De Sterck, C.W.M. Kay, V. Van Speybroeck, M. Waroquier PosterConference / event / venue Multiscale Molecular Modelling: Molecular Dynamics, Computational Statistical Mechanics, and Simulation AlgorithmsEdinburgh, ScotlandWednesday, 30 June, 2010 to Saturday, 3 July, 2010 Read more about Influence of protein environment on the EPR properties of flavoprotein radicals: a QM/MM study
Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics L. Vanduyfhuys, T. Verstraelen, M. Vandichel, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck P 140-144PosterConference / event / venue MOF2010 conferenceMarseille, FranceSunday, 5 September, 2010 to Wednesday, 8 September, 2010 Read more about Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics
Insight into zeolite nanogrowth through the analysis of vibrational spectra in terms of internal coordinates M. Van Houteghem, T. Verstraelen, D. Van Neck, C. Kirschhock, J.A. Martens, M. Waroquier PosterConference / event / venue FirW PhD symposium 2010Ghent Univeristy, Faculty of Engineering, Ghent, BelgiumWednesday, 1 December, 2010 Read more about Insight into zeolite nanogrowth through the analysis of vibrational spectra in terms of internal coordinates
Zeobuilder: A GUI-toolkit with building algorithms for the construction of complex zeolite models T. Verstraelen, V. Van Speybroeck, M. Waroquier TalkConference / event / venue 3rd EFCATS School of CatalysisUstron, PolandTuesday, 21 September, 2004 to Sunday, 26 September, 2004 Read more about Zeobuilder: A GUI-toolkit with building algorithms for the construction of complex zeolite models
Zeobuilder: A GUI-toolkit with building algorithms for the construction of complex zeolite models T. Verstraelen, V. Van Speybroeck, M. Waroquier Invited talkFriday lecture at EMAT, Antwerp, BelgiumThursday, 30 September, 2004 Read more about Zeobuilder: A GUI-toolkit with building algorithms for the construction of complex zeolite models