M. Waroquier

Exploring the nature and reactivity of alkene cracking intermediates in H-ZSM-5 with molecular simulations

P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck

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XVIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVIII)

Noordwijkerhout, The Netherlands

Monday, 6 March, 2017 to Wednesday, 8 March, 2017

On the nature and stability of butene cracking intermediates in H-ZSM-5

P. Cnudde, K. De Wispelaere, M. Waroquier, J. Van der Mynsbrugge, V. Van Speybroeck

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FEARS2017

Ghent, Belgium

Wednesday, 15 February, 2017

Generation of active sites in UiO-66 with their application in catalysis

J. Hajek, K. De Wispelaere, M. Waroquier, V. Van Speybroeck

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Chemical Research in Flanders Symposium (CRF-1)

Blankenberge, Belgium

Monday, 24 October, 2016 to Wednesday, 26 October, 2016

Catalytic sites on UiO-66 for Fischer esterification

C. Caratelli, J. Hajek, G. Cirujano, A. Corma, M. Waroquier, F.X. Llabres i Xamena, V. Van Speybroeck

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IAP meeting

Liege

Monday, 12 September, 2016

Constructing complete non-covalent force fields based on ab initio monomer densities

S. Vandenbrande, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, T. Verstraelen

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Many-Body Interactions: From Quantum Mechanics to Force Fields

Telluride (CO), US

Tuesday, 12 July, 2016 to Saturday, 16 July, 2016

Molecular simulations elucidate the nature and stability of alkene cracking intermediates on H-ZSM-5

P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck

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IAP Annual Meeting

Luik, Belgium

Monday, 12 September, 2016

A theoretical study of reactive intermediates in H-ZSM-5 catalyzed alkene cracking

P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, J. Hajek, M. Waroquier, V. Van Speybroeck

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Chemical Research in Flanders (CRF-1)

Blankenberge, Belgium

Monday, 24 October, 2016 to Wednesday, 26 October, 2016

Generation of active sites for catalysis in UiO-66 studied by a complementary set of static and dynamic simulations

J. Hajek, K. De Wispelaere, A. De Vos, M. Waroquier, D. De Vos, V. Van Speybroeck

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Annual IAP Meeting IAP-PAI P7/05

Liège, Belgium

Monday, 12 September, 2016

Exploring the Flexibility of MIL-47(V)-Type Materials Using Force Field Molecular Dynamics Simulations

J. Wieme, L. Vanduyfhuys, S.M.J. Rogge, M. Waroquier, V. Van Speybroeck

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MOF-2016: 5th International Conference on Metal-Organic Frameworks & Open Framework Compounds

Long Beach, CA, USA

Monday, 12 September, 2016

Exploring the nature of active sites for catalysis in UiO-66

J. Hajek, K. De Wispelaere, M. Waroquier, V. Van Speybroeck

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252nd American Chemical Society (ACS) National Meeting

Philadelphia, PA, USA

Sunday, 21 August, 2016 to Thursday, 25 August, 2016

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