First principle chemical kinetics in nanoporous materials V. Van Speybroeck TalkConference / event / venue ICMS/NRSC-C workshop Frontiers in CatalysisEindhoven, The NetherlandsFriday, 5 June, 2009 Read more about First principle chemical kinetics in nanoporous materials
Growth of naphthalenic HP species: influence of the CHA topology from a molecular perspective K. Hemelsoet, A. Nollet, D. Lesthaeghe, V. Van Speybroeck, M. Waroquier TalkConference / event / venue InGAP NANOCAT SummerschoolTrondheim, NorwaySunday, 21 June, 2009 to Friday, 26 June, 2009 Read more about Growth of naphthalenic HP species: influence of the CHA topology from a molecular perspective
Normal mode analysis of macromolecular systems with the Mobile Block Hessian method A. Ghysels, V. Van Speybroeck, D. Van Neck, B.R. Brooks, M. Waroquier 4 pagesTalkConference / event / venue International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2009)Rhodos, GreeceTuesday, 29 September, 2009 to Sunday, 4 October, 2009 Read more about Normal mode analysis of macromolecular systems with the Mobile Block Hessian method
Insight into zeolite formation mechanisms from a molecular modeling viewpoint V. Van Speybroeck TalkConference / event / venue Annual IAP-PAI P6/27 MeetingLeuven, BelgiumMonday, 14 December, 2009 to Tuesday, 15 December, 2009 Read more about Insight into zeolite formation mechanisms from a molecular modeling viewpoint
First principle modeling of conjugated polymer formation V. Van Speybroeck Invited talkBoğaziçi University, Bebek, Istanbul, TurkeyWednesday, 22 September, 2010 Read more about First principle modeling of conjugated polymer formation
DFT-based Elucidation of Asparagine Deamidation in Peptides and Proteins S. Catak, B. De Sterck, G. Monard, M.F. Ruiz-López, V. Aviyente, M. Waroquier, V. Van Speybroeck TalkConference / event / venue Quantum Chemistry in Belgium 9th edition (QCB9)Louvain-la-Neuve, BelgiumTuesday, 26 January, 2010 Read more about DFT-based Elucidation of Asparagine Deamidation in Peptides and Proteins
QM metadynamics study on asparagine deamidation in proteins S. Catak, B. De Sterck, M. Waroquier, V. Van Speybroeck TalkConference / event / venue ACS Spring 2010 National Meeting & ExpositionSan Francisco, California, USAWednesday, 17 March, 2010 to Thursday, 25 March, 2010 Read more about QM metadynamics study on asparagine deamidation in proteins
Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations as a model for amide hydrolysis in proteins B. De Sterck, S. Catak, M. Waroquier, V. Van Speybroeck TalkConference / event / venue ACS Spring 2010 National Meeting & ExpositionSan Francisco, California, USAWednesday, 17 March, 2010 to Thursday, 25 March, 2010 Read more about Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations as a model for amide hydrolysis in proteins
First principle kinetics in zeolitic materials V. Van Speybroeck TalkConference / event / venue 13th International Conference on Theoretical Aspects of CatalysisMatsushima, JapanMonday, 21 June, 2010 to Friday, 25 June, 2010 Read more about First principle kinetics in zeolitic materials
Ab initio study of the growth of fused bicyclic species within a zeolite-type catalyst: the influence of confinement and material composition K. Hemelsoet, A. Nollet, V. Van Speybroeck, M. Waroquier 691-692ISBN: 9788889976296TalkConference / event / venue IZC-IMMS 2010Sorrento, ItalySunday, 4 July, 2010 to Friday, 9 July, 2010 Read more about Ab initio study of the growth of fused bicyclic species within a zeolite-type catalyst: the influence of confinement and material composition