M. Waroquier

Active site genesis within UiO-66 type Metal-Organic Frameworks: a theoretical rationalization

M. Vandichel, J. Hajek, M. Waroquier, V. Van Speybroeck, D. De Vos

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Poster

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EUROMOF2015

Potsdam am Templiner See (Berlin), Germany

Sunday, 11 October, 2015 to Wednesday, 14 October, 2015

Understanding The Flexibility In Metal-Organic Frameworks From molecular To Thermodynamic Insights

L. Vanduyfhuys, S. Vandenbrande, R. Demuynck, S.M.J. Rogge, A. Ghysels, T. Verstraelen, M. Waroquier, V. Van Speybroeck

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Keynote

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CHITEL2015

Torino, Italy

Sunday, 26 July, 2015 to Friday, 31 July, 2015

A comparison of barostats for the mechanical characterisation of MOFs

S.M.J. Rogge, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, G. Maurin, V. Van Speybroeck

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Poster

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Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials

Berlin, Germany

Monday, 13 July, 2015 to Thursday, 23 July, 2015

New quasi-1D materials: DFT-study of breathing metal-organic frameworks

D.E.P. Vanpoucke, J. Jaeken, S. De Baerdemacker, K. Lejaeghere, A. Ghysels, M. Waroquier, V. Van Speybroeck

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Poster

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IAP P7/05 Annual meeting 2014

Louvain-La-Neuve, Belgium

Friday, 19 September, 2014

Static and dynamic study of alkene cracking intermediates in H-ZSM-5

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

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Poster

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9th International Conference on Chemical Kinetics (ICCK 2015)

Ghent, Belgium

Sunday, 28 June, 2015 to Thursday, 2 July, 2015

The vibrational fingerprint of the electronic excitation energy of molecular systems via molecular dynamics

A. Van Yperen-De Deyne, T. De Meyer, A. Ghysels, E. Pauwels, M. Waroquier, V. Van Speybroeck, K. Hemelsoet

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Poster

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Next generation quantum based molecular dy-namics: challenges and perspectives

Bremen, Germany

Monday, 13 July, 2015 to Friday, 17 July, 2015

Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2

J. Hajek, M. Vandichel, B. Van de Voorde, B. Bueken, D. De Vos, M. Waroquier, V. Van Speybroeck

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Talk

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IAP work meeting of WP2 “Supramolecular catalysis, photocatalysis and advanced separations"

Leuven, Belgium

Monday, 11 May, 2015

Modeling breathing of Mil-53: from force fields to thermodynamic insights

L. Vanduyfhuys, T. Verstraelen, A. Ghysels, S. Vandenbrande, R. Demuynck, S.M.J. Rogge, R. Schmid, G. Maurin, M. Waroquier, V. Van Speybroeck

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Poster

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Flexibility and disorder in Metal-Organic Frameworks

Paris, France

Wednesday, 3 June, 2015 to Friday, 5 June, 2015

Au@UiO-66: a base free oxidation catalyst (vol 5, pg 22334, 2015)

Insight in the activity of UiO-66-NH2 for the aldol condensation

J. Hajek, M. Vandichel, F. Vermoortele, M. Waroquier, D. De Vos, V. Van Speybroeck

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Talk

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XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XV)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2015 to Wednesday, 4 March, 2015

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