K. Hemelsoet

The Mechanism of Methanol Conversion: Insight from Extended Cluster Models and Molecular Dynamics

K. De Wispelaere, K. Hemelsoet, S.L. Moors, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck

p. 191

ISBN/ISSN:

Invited talk

Conference / event / venue

4th Annual Global Congress of Catalysis (GCC-2013)

Dalian, China

Saturday, 29 June, 2013 to Monday, 1 July, 2013

Immobilization of a homogeneous enantioselective catalysts on a large pore Metal-Organic Framework

Y. Aelbrecht, T. Bogaerts, M. Vandichel, K. Hemelsoet, P. Van der Voort, V. Van Speybroeck

p.

ISBN/ISSN:

Poster

Conference / event / venue

NCCC XIV

Noordwijkerhout, The Netherlands

Monday, 11 March, 2013 to Wednesday, 13 March, 2013

Ab initio study on the active olefin producing reaction cycles during methanol conversion in H-SAPO-34

K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck

p. 153

Poster

Conference / event / venue

14th Int. Conference of Theoretical Aspects of Catalysis (ICTAC-14)

Vlissingen, The Netherlands

Tuesday, 26 June, 2012 to Saturday, 30 June, 2012

Computation of chemical kinetics: Olefin producing reaction routes during Methanol conversion as a case study

K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck

http://www.tacc2012.org/poster/De_Wispeleare.pdf

Poster

Conference / event / venue

Theory and Applications of Computational Chemistry (TACC-2012)

Pavia, Italy

Sunday, 2 September, 2012 to Friday, 7 September, 2012

A combined theoretical and in-situ spectroscopy study to obtain mechanistic insight into active MTO routes in chabazite derived topologies

V. Van Speybroeck, K. Hemelsoet, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, Q. Qian, B.M. Weckhuysen

p. **

Talk

Conference / event / venue

15th International Congress on Catalysis (ICC2012)

München, Germany

Sunday, 1 July, 2012 to Friday, 6 July, 2012

pH-sensitivity of azo dyes

T. De Meyer, L. Van der Schueren, K. Hemelsoet, V. Van Speybroeck, K. De Clerck

p. 103-104

Talk

Conference / event / venue

Fiber Society Spring Conference 2012

EMPA, Lausanne, Switzerland

Wednesday, 23 May, 2012 to Friday, 25 May, 2012

UV-VIS spectra of azo dyes in aqueous environment: a combined TD-DFT and molecular dynamics study

T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck

P8

Poster

Conference / event / venue

DFTM2012

Gent, Belgium

Sunday, 1 April, 2012 to Friday, 6 April, 2012

Kinetic study on key reaction steps in methanol-to-olefin conversion: influence of catalyst topology

J. Van der Mynsbrugge, J. De Ridder, K. Hemelsoet, M. Waroquier, V. Van Speybroeck

p. 136

Talk

Conference / event / venue

XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII)

Noordwijkerhout, The Netherlands

Monday, 5 March, 2012 to Wednesday, 7 March, 2012

Kinetic study on the effects of zeolite topology on methylation reactions in the methanol-to-olefins process

J. Van der Mynsbrugge, J. De Ridder, K. Hemelsoet, M. Waroquier, V. Van Speybroeck

p. 83-84

Poster

Conference / event / venue

ICTAC-14

Vlissingen, The Netherlands

Tuesday, 26 June, 2012 to Saturday, 30 June, 2012

Identification of Carbonaceous Compounds in H-SAPO-34: a Combined TDDFT and In-situ Spectroscopy Study

K. Hemelsoet, Q. Qian, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, B.M. Weckhuysen, V. Van Speybroeck

p. 74

Talk

Conference / event / venue

ZMPC2012

Hiroshima, Japan

Saturday, 28 July, 2012 to Wednesday, 1 August, 2012

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