M. Waroquier

Recent theoretical insights into the role of the zeolite framework on methanol-to-olefin conversion

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

Poster

Conference / event / venue

4th International FEZA Conference

Paris, France

Tuesday, 2 September, 2008 to Saturday, 6 September, 2008

Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites

M. Vandichel, D. Lesthaeghe, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

4th International FEZA Conference

Paris, France

Tuesday, 2 September, 2008 to Saturday, 6 September, 2008

Recent theoretical insights into the role of the zeolite framework on methanol-to-olefin conversion

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

Poster

Conference / event / venue

Annual meeting of the Dutch Zeolite Association

Brussels, Belgium

Friday, 31 October, 2008

Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites

M. Vandichel, D. Lesthaeghe, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Annual meeting of the Dutch Zeolite Association

Brussels, Belgium

Friday, 31 October, 2008

A combined experimental and theoretical investigation of the stereoselectivity in the synthesis of azahetrocyclic phosphonates

D.D. Claeys, K. Moonen, B.I. Roman, V. Van Speybroeck, M. Waroquier, C.V. Stevens

Poster

Conference / event / venue

12th Sigma-Aldrich Organic Synthesis Meeting

Spa, Belgium

Thursday, 4 December, 2008 to Friday, 5 December, 2008

Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals

M.A. Tarpan, H. De Cooman, H. Vrielinck, E. Pauwels, M. Waroquier, E. Sagstuen, F. Callens

Poster

Conference / event / venue

European conference on the spectroscopy of biological molecules

Palermo, Italy

Friday, 28 August, 2009 to Wednesday, 2 September, 2009

An efficient approach for the calculation of frequencies in macromolecules

A. Ghysels, V. Van Speybroeck, D. Van Neck, B.R. Brooks, M. Waroquier

Poster

Conference / event / venue

MolSim 2009 course

Universiteit Amsterdam, The Netherlands

Monday, 5 January, 2009 to Friday, 16 January, 2009

Identification of the driving forces in methanol-to-olefin conversion by modeling the zeolite cage and contents

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

Poster

Conference / event / venue

Xth Netherlands' Catalysis and Chemistry Conference (NCCC X)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2009 to Wednesday, 4 March, 2009

Theoretical verification of the alkene hydrocarbon pool cycle for MTO conversion in ZSM-5

J. Van der Mynsbrugge, D. Lesthaeghe, M. Vandichel, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Xth Netherlands' Catalysis and Chemistry Conference (NCCC X)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2009 to Wednesday, 4 March, 2009

Naphthalene derivatives in the MTO process from a molecular modeling perspective: reactive species or coke?

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

Poster

Conference / event / venue

Xth Netherlands' Catalysis and Chemistry Conference (NCCC X)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2009 to Wednesday, 4 March, 2009

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