V. Van Speybroeck

Deactivation of the catalyst during the MTO process from a molecular modeling perspective

K. Hemelsoet, D. Lesthaeghe, V. Van Speybroeck, M. Waroquier

Talk

Conference / event / venue

Xth Netherlands' Catalysis and Chemistry Conference (NCCC X)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2009 to Thursday, 5 March, 2009

Polymerization Mechanisms

V. Van Speybroeck

Talk

Conference / event / venue

Molecular Physical Chemistry of polymers: A theoretical and experimental approach - FRS Lectures in Molecular Physical Chemistry

Louvain-la-Neuve, Belgium

Monday, 25 May, 2009 to Friday, 29 May, 2009

First principle chemical kinetics in nanoporous materials

V. Van Speybroeck

Talk

Conference / event / venue

ICMS/NRSC-C workshop Frontiers in Catalysis

Eindhoven, The Netherlands

Friday, 5 June, 2009

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

Talk

Conference / event / venue

InGAP NANOCAT Summerschool

Trondheim, Norway

Sunday, 21 June, 2009 to Friday, 26 June, 2009

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 pages

Talk

Conference / event / venue

International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2009)

Rhodos, Greece

Tuesday, 29 September, 2009 to Sunday, 4 October, 2009

Insight into zeolite formation mechanisms from a molecular modeling viewpoint

V. Van Speybroeck

Talk

Conference / event / venue

Annual IAP-PAI P6/27 Meeting

Leuven, Belgium

Monday, 14 December, 2009 to Tuesday, 15 December, 2009

First principle modeling of conjugated polymer formation

V. Van Speybroeck

Invited talk

Boğaziçi University, Bebek, Istanbul, Turkey

Wednesday, 22 September, 2010

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

Talk

Conference / event / venue

Quantum Chemistry in Belgium 9th edition (QCB9)

Louvain-la-Neuve, Belgium

Tuesday, 26 January, 2010

QM metadynamics study on asparagine deamidation in proteins

S. Catak, B. De Sterck, M. Waroquier, V. Van Speybroeck

Talk

Conference / event / venue

ACS Spring 2010 National Meeting & Exposition

San Francisco, California, USA

Wednesday, 17 March, 2010 to Thursday, 25 March, 2010

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

Talk

Conference / event / venue

ACS Spring 2010 National Meeting & Exposition

San Francisco, California, USA

Wednesday, 17 March, 2010 to Thursday, 25 March, 2010

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