Selectivity prediction for the citronellal cyclization on various catalysts
Poster
Conference / event / venue
IAP Annual Meeting
Leuven, Belgium
Monday, 21 November, 2011 to Tuesday, 22 November, 2011
V. Van Speybroeck
Ab initio parametrized force field for the metal-organic framework MIL-53(Al) to study its framework flexibility
p. 95-96
Poster
Conference / event / venue
ICTAC-14
Vlissingen, The Netherlands
Tuesday, 26 June, 2012 to Saturday, 30 June, 2012
Kinetic study on key reaction steps in methanol-to-olefin conversion: influence of catalyst topology
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
p. 83-84
Poster
Conference / event / venue
ICTAC-14
Vlissingen, The Netherlands
Tuesday, 26 June, 2012 to Saturday, 30 June, 2012
The ground state elemental crystals as a benchmark set for solid state DFT properties
P21
Poster
Conference / event / venue
DFTM2012
Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Valence Force Fields for Microporous Materials
p. 114-115
Talk
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
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
Role of polyaromatics in coke growth processes
Talk
Conference / event / venue
WOG meeting 'Fundamental and Applied Aspects of Density Functional Theory'
Ghent, Belgium
Friday, 28 October, 2011
Computational materials design for electricity generation in the 22nd century
Invited talk
Conference / event / venue
(presenting author S. Cottenier) 4th Workshop on novel methods for electronic structure calculations, and 1st southamerican congress on materials
La Plata (Argentina)
Wednesday, 2 November, 2011 to Friday, 4 November, 2011
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