First principle kinetic studies of zeolite catalyzed reactions
Invited talk
Conference / event / venue
Department of Chemistry, University of Oslo
Oslo, Norway
Monday, 14 February, 2011 to Wednesday, 16 February, 2011
V. Van Speybroeck
Modeling Lewis catalyzed reactions in Metal Organic Frameworks
p. 120
Talk
Conference / event / venue
XIIth Netherlands' Catalysis and Chemistry Conference
Noordwijkerhout, The Netherlands
Monday, 28 February, 2011 to Wednesday, 2 March, 2011
Growth of large aromatics in the H-ZSM-5 and H-SAPO-34 catalyst during methanol conversion: a combined DFT and experimental study
p. 119
Talk
Conference / event / venue
XIIth Netherlands' Catalysis and Chemistry Conference
Noordwijkerhout, The Netherlands
Monday, 28 February, 2011 to Wednesday, 2 March, 2011
Understanding framework flexibility by Monte Carlo simulation
14-COMP
ISBN/ISSN: 0065-7727
Talk
Conference / event / venue
ACS Spring 2011 National Meeting & Exposition
Anaheim, California, USA
Sunday, 27 March, 2011 to Thursday, 31 March, 2011
Kinetic study of methylation reactions in zeolites
ISBN/ISSN: 0065-7727
Talk
Conference / event / venue
ACS Spring 2011 National Meeting & Exposition - Division of Computers in Chemistry, Quantum Chemistry
Anaheim, California, USA
Sunday, 27 March, 2011 to Thursday, 31 March, 2011
First principle kinetic studies of zeolite-catalyzed reacions relevant for the MTO process
26-PETR
ISBN/ISSN: 0065-7727
Talk
Conference / event / venue
ACS Spring 2011 National Meeting & Exposition - Division of Petroleum Chemistry, Acid, Base and Zeolite Catalysis
Anaheim, California, USA
Sunday, 27 March, 2011 to Thursday, 31 March, 2011
Investigation of Confinement Effects on Zeolite-Catalyzed Methylation Reactions
Abstract OC 059
Talk
Conference / event / venue
Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)
Santiago de Compostela, Spain
Sunday, 17 July, 2011 to Friday, 22 July, 2011
Ab initio and dynamic methods : A useful tool in the study of chemical reactions
Mon, 01/10/2001
Supervisors
Prof. Dr. Michel WaroquierInfluence of low vibrational modes on Molecular Partition Functions and Derived Quantities from First Principles
Fri, 09/06/2006
Theoretical insights into the propagation techniques and defect formation of free radical polymerization
Thu, 31/05/2007
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