The pH-sensitive properties of azo dyes in aqueous environment T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck PosterConference / event / venue QCB10BrusselFriday, 10 February, 2012 Read more about The pH-sensitive properties of azo dyes in aqueous environment
Reactivity of CO on clean and carbon covered cobalt surfaces in Fischer-Tropsch synthesis L. Joos, I. Filot, M. Waroquier, S. Cottenier, V. Van Speybroeck, R.A. van Santen p. 230PosterConference / event / venue XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII)Noordwijkerhout, The NetherlandsMonday, 5 March, 2012 to Wednesday, 7 March, 2012 Read more about Reactivity of CO on clean and carbon covered cobalt surfaces in Fischer-Tropsch synthesis
Reactivity of CO on clean and carbon covered cobalt surfaces in Fischer-Tropsch synthesis L. Joos, I. Filot, M. Waroquier, S. Cottenier, V. Van Speybroeck, R.A. van Santen http://www.cecam.org/workshop-3-699.html?poster_id=7746PosterConference / event / venue MolSim2012AmsterdamMonday, 9 January, 2012 to Friday, 20 January, 2012 Read more about Reactivity of CO on clean and carbon covered cobalt surfaces in Fischer-Tropsch synthesis
The pH-sensitive properties of azo dyes in aqueous environment T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck http://www.cecam.org/workshop-3-699.html?poster_id=7740PosterConference / event / venue Molsim2012AmsterdamMonday, 9 January, 2012 to Friday, 20 January, 2012 Read more about The pH-sensitive properties of azo dyes in aqueous environment
DFT insight into the polymerization mechanism of conjugated electroluminescent polymer PPV S. Catak, L. Hermosilla, B. Champagne, D. Vanderzande, M. Waroquier, V. Van Speybroeck WP2/5PosterConference / event / venue Belgium Science Policy (Belspo)–Annual Meeting for Interuniversity Attraction Poles (IUAP)Leuven, BelgiumMonday, 21 November, 2011 to Tuesday, 22 November, 2011 Read more about DFT insight into the polymerization mechanism of conjugated electroluminescent polymer PPV
Influence of protein environment on the EPR properties of flavine radicals: a QM/MM study E. Pauwels, T. Verstraelen, B. De Sterck, C.W.M. Kay, V. Van Speybroeck, M. Waroquier /PosterConference / event / venue 5th symposium on Theoretical Biophysics (TheoBio 2011)Madeira, PortugalWednesday, 8 June, 2011 to Sunday, 12 June, 2011 Read more about Influence of protein environment on the EPR properties of flavine radicals: a QM/MM study
The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison K. Lejaeghere, V. Van Speybroeck, S. Cottenier PosterConference / event / venue QCB10Brussels, BelgiumFriday, 10 February, 2012 Read more about The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison
Active olefin producing reaction cycles during methanol conversion in H-SAPO-34: an ab initio study K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck http://www.cecam.org/workshop-3-699.html?poster_id=7747PosterConference / event / venue MOLSIM 2012 - Understanding Molecular SimulationsAmsterdam, the NetherlandsMonday, 9 January, 2012 to Friday, 20 January, 2012 Read more about Active olefin producing reaction cycles during methanol conversion in H-SAPO-34: an ab initio study
Active olefin producing reaction cycles during methanol conversion in H-SAPO-34: an ab initio study K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck p. 221PosterConference / event / venue XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII)Noordwijkerhout, The NetherlandsMonday, 5 March, 2012 to Wednesday, 7 March, 2012 Read more about Active olefin producing reaction cycles during methanol conversion in H-SAPO-34: an ab initio study
Molecular modeling of the Enantioselective titaniumtartrate catalyst T. Bogaerts, M. Vandichel, M. Waroquier, P. Van der Voort, V. Van Speybroeck p. 278PosterConference / event / venue XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII)Noordwijkerhout, The NetherlandsMonday, 5 March, 2012 to Wednesday, 7 March, 2012 Read more about Molecular modeling of the Enantioselective titaniumtartrate catalyst