K. De Wispelaere
Low-barrier route for the MTO reaction in H-SAPO-34: insight from extended cluster models and molecular dynamics
p. 140
ISBN/ISSN:
Talk
Conference / event / venue
XIVth Netherlands' Catalysis and Chemistry Conference (NCCC XIV))
Noordwijkerhout, The Netherlands
Monday, 11 March, 2013 to Wednesday, 13 March, 2013
The Mechanism of Methanol Conversion: Insight from Extended Cluster Models and Molecular Dynamics
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
Zeolite-Catalyzed Reactions: Insight by Means of Molecular Dynamics Simulations
Poster
Conference / event / venue
CECAM Workshop - Simulating Activated Processes In Physics And Chemistry: Theoretical Foundations
Villars, Switzerland
Sunday, 3 February, 2013 to Friday, 8 February, 2013
Ab initio study on the active olefin producing reaction cycles during methanol conversion in H-SAPO-34
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
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
p. **
Talk
Conference / event / venue
15th International Congress on Catalysis (ICC2012)
München, Germany
Sunday, 1 July, 2012 to Friday, 6 July, 2012
Identification of Carbonaceous Compounds in H-SAPO-34: a Combined TDDFT and In-situ Spectroscopy Study
p. 74
Talk
Conference / event / venue
ZMPC2012
Hiroshima, Japan
Saturday, 28 July, 2012 to Wednesday, 1 August, 2012
Identification of Carbonaceous Compounds in H-SAPO-34: a Combined TDDFT and In-situ Spectroscopy Study
p. 44-45
Talk
Conference / event / venue
ICTAC-14
Vlissingen, The Netherlands
Tuesday, 26 June, 2012 to Saturday, 30 June, 2012
Active olefin producing reaction cycles during methanol conversion in H-SAPO-34: an ab initio study
http://www.cecam.org/workshop-3-699.html?poster_id=7747
Poster
Conference / event / venue
MOLSIM 2012 - Understanding Molecular Simulations
Amsterdam, the Netherlands
Monday, 9 January, 2012 to Friday, 20 January, 2012
Pages
