G.B. Marin

Understanding the failure of direct mechanisms in the zeolite-catalysed MTO process through ab initio calculations

D. Lesthaeghe, V. Van Speybroeck, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

New trends in catalysis

Brussels (Belgium)

Tuesday, 11 October, 2005 to Thursday, 13 October, 2005

Elementary reactions in the MTO process: Are we finally on the right track?

D. Lesthaeghe, B. De Sterck, V. Van Speybroeck, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

11th International Conference on Theoretical Aspects of Catalysis

Berlin, Germany

Sunday, 11 June, 2006 to Wednesday, 14 June, 2006

Theoretical study on elementary reaction steps in the methanol-to-olefin process

D. Lesthaeghe, B. De Sterck, V. Van Speybroeck, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

232nd ACS national meeting: 'Symposium on Clean Fuels from Biomass'

San Francisco, California, USA

Sunday, 10 September, 2006 to Thursday, 14 September, 2006

Modeling Elementary Reactions in Coke Formation from First Principles

V. Van Speybroeck, K. Hemelsoet, D. Moran, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

AIChE (American Institute of Chemical Engineering) , Industrial Applications of Computational Chemistry and Molecular Simulations

San Francisco (CA), US

Sunday, 12 November, 2006 to Friday, 17 November, 2006

Tackling the methanol-to-olefin problem through theoretical calculations: direct mechanisms vs. hydrocarbon pool model

D. Lesthaeghe, B. De Sterck, V. Van Speybroeck, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

15th International Zeolite Conference

Beijing, China

Sunday, 12 August, 2007 to Friday, 17 August, 2007

Methanol-to-olefin conversion from first principles: unraveling the complex reaction network

D. Lesthaeghe, V. Van Speybroeck, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

Europacat VIII

Turku/Abo, Finland

Sunday, 26 August, 2007 to Friday, 31 August, 2007

Using Elementary Reactions to Model Growth Processes of Polyaromatic Hydrocarbons under Pyrolysis Conditions of Light Feedstocks

K. Hemelsoet, V. Van Speybroeck, K.M. Van Geem, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

AIChE's 2007 Annual Meeting

Salt Lake City, Utah, US

Sunday, 4 November, 2007 to Friday, 9 November, 2007

Calculation of hydrocarbon bond dissociation energies in a computationally efficient way

V. Van Speybroeck, G.B. Marin, M. Waroquier

Talk

Conference / event / venue

ICCMSE 2004

Attica, Greece

Friday, 19 November, 2004 to Tuesday, 23 November, 2004

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