B. De Sterck

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

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Poster

Conference / event / venue

5th symposium on Theoretical Biophysics (TheoBio 2011)

Madeira, Portugal

Wednesday, 8 June, 2011 to Sunday, 12 June, 2011

Role of the zeolite framework on elementary reactions in the hydrocarbon pool model for the MTO process

B. De Sterck, D. Lesthaeghe, V. Van Speybroeck, G.B. Marin, M. Waroquier

Poster

Conference / event / venue

VIIth Netherlands' Catalysis and Chemistry Conference (NCCC VII)

Noordwijkerhout, The Netherlands

Monday, 6 March, 2006 to Wednesday, 8 March, 2006

Role of the zeolite framework on elementary reactions in the hydrocarbon pool model for the MTO process

B. De Sterck, D. Lesthaeghe, V. Van Speybroeck, G.B. Marin, M. Waroquier

Poster

Conference / event / venue

11th International Conference on Theoretical Aspects of Catalysis

Berlin, Germany

Sunday, 11 June, 2006 to Wednesday, 14 June, 2006

Theoretical study on elementary reactions in the methanol-to-olefin process

D. Lesthaeghe, B. De Sterck, V. Van Speybroeck, G.B. Marin, M. Waroquier

Poster

Conference / event / venue

2006 AIChE annual meeting

San Francisco, California, USA

Sunday, 12 November, 2006 to Friday, 17 November, 2006

Ab initio evaluation of 3-halo-1-azaallylic anions as synthetic building blocks

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

Poster

Conference / event / venue

Doctoral Symposium

Ghent Univeristy, Faculty of Engineering, Ghent, Belgium

Tuesday, 24 April, 2007

Ab initio evaluation of 3-halo-1-azaallylic anions as synthetic building blocks

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

Poster

Conference / event / venue

Doctoral Symposium

Ghent Univeristy, Faculty of Engineering, Ghent, Belgium

Wednesday, 5 December, 2007

Ab initio evaluation of metalated 3-halo-1-azaallylic anions as synthetic building blocks

B. De Sterck, V. Van Speybroeck, G. Verniest, S. Mangelinckx

Poster

Conference / event / venue

IXth Netherlands' Chemistry and Catalysis Conference (NCCC IX)

Noordwijkerhout, The Netherlands

Monday, 3 March, 2008 to Wednesday, 5 March, 2008

Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations

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

Poster

Conference / event / venue

13th ICQC congres

Helsinki, Finland

Monday, 22 June, 2009 to Saturday, 27 June, 2009

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

Poster

Conference / event / venue

13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09)

Lyon, France

Monday, 31 August, 2009 to Friday, 4 September, 2009

QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins

S. Catak, B. De Sterck, E. Pauwels, G. Monard, M.F. Ruiz-López, V. Aviyente, M. Waroquier, V. Van Speybroeck

Poster

Conference / event / venue

13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics

Lyon, France

Monday, 31 August, 2009 to Friday, 4 September, 2009

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