Crystalline Fe under TPa pressures: simple or complex?
Poster
Conference / event / venue
Psi-k Conference
Berlin, Germany
Sunday, 12 September, 2010 to Thursday, 16 September, 2010
V. Van Speybroeck
Crystalline Fe under TPa pressures: simple or complex?
Poster
Conference / event / venue
Ab initio modelling of iron and steel (ADIS) 2010, 468th Wilhelm und Else Heraeus-Seminar
Ringberg Castle, Tegernsee, Germany
Sunday, 24 October, 2010 to Friday, 29 October, 2010
Computationele zoektocht naar een waardig alternatief voor staal
Poster
Conference / event / venue
ie-prijzen 2010
Brussels, Belgium
Thursday, 25 November, 2010
Modeling citronellal cyclization in Cu3BTC2 and UiO-66
Poster
Conference / event / venue
IAP FS2 6/27 Annual Network Meeting
Brussels, Belgium
Monday, 29 November, 2010 to Tuesday, 30 November, 2010
Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: the Fe-Mo system
Poster
Conference / event / venue
FirW PhD symposium 2010
Ghent Univeristy, Faculty of Engineering, Ghent, Belgium
Wednesday, 1 December, 2010
Predicting breathing with MOFs with Monte Carlo simulations
Poster
Conference / event / venue
2011 Mini Stat Mech Meeting
Berkeley, California, US
Friday, 14 January, 2011 to Sunday, 16 January, 2011
Modelling citronellal cyclization in Cu3(BTC)2
p. 349
Poster
Conference / event / venue
XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII)
Noordwijkerhout, The Netherlands
Monday, 28 February, 2011 to Wednesday, 2 March, 2011
Molecular modeling of enantioselective catalysis in chiral MOFs
p. 352
Poster
Conference / event / venue
XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII)
Noordwijkerhout, The Netherlands
Monday, 28 February, 2011 to Wednesday, 2 March, 2011
Effects of zeolite topology on methylation reactions in the MTO process from a theoretical perspective
p. 199
Poster
Conference / event / venue
XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII)
Noordwijkerhout, The Netherlands
Monday, 28 February, 2011 to Wednesday, 2 March, 2011
Ab initio study on the deactivation of an H-SSZ-13 and H-SAPO-34 catalyst during the MTO process
p. 278
Poster
Conference / event / venue
XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII)
Noordwijkerhout, The Netherlands
Monday, 28 February, 2011 to Wednesday, 2 March, 2011
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