Modeling Lewis acid catalyzed reactions in MOFs: How to solve the challenges? M. Vandichel, F. Vermoortele, B. Van de Voorde, S. Cottenie, D. De Vos, M. Waroquier, V. Van Speybroeck p. 37TalkConference / event / venue MOF2012Edinburgh, UKSunday, 16 September, 2012 to Wednesday, 19 September, 2012 Read more about Modeling Lewis acid catalyzed reactions in MOFs: How to solve the challenges?
Selectivity prediction: making the comparison between extended cluster and periodic calculations M. Vandichel, F. Vermoortele, S. Cottenie, D. De Vos, M. Waroquier, V. Van Speybroeck p. 122-123PosterConference / event / venue ICAMM 2012 & VASP WorkshopNantes, FranceMonday, 11 June, 2012 to Friday, 15 June, 2012 Read more about Selectivity prediction: making the comparison between extended cluster and periodic calculations
Selectivity prediction for the citronellal cyclization on Cu3BTC2: a comparison between extended cluster and periodic calculations M. Vandichel, F. Vermoortele, S. Cottenie, D. De Vos, M. Waroquier, V. Van Speybroeck p. 93-94PosterConference / event / venue ICTAC-14Vlissingen, The NetherlandsTuesday, 26 June, 2012 to Saturday, 30 June, 2012 Read more about Selectivity prediction for the citronellal cyclization on Cu3BTC2: a comparison between extended cluster and periodic calculations
Electronic effects of ligand substitution on Lewis acid catalysis with metal-organic frameworks M. Vandichel, F. Vermoortele, B. Van de Voorde, R. Ameloot, D. De Vos, M. Waroquier, V. Van Speybroeck PosterConference / event / venue IAP Annual MeetingLeuven, BelgiumMonday, 21 November, 2011 to Tuesday, 22 November, 2011 Read more about Electronic effects of ligand substitution on Lewis acid catalysis with metal-organic frameworks
Selectivity prediction for the citronellal cyclization on various catalysts M. Vandichel, S. Cottenie, F. Vermoortele, D. De Vos, M. Waroquier, V. Van Speybroeck PosterConference / event / venue IAP Annual MeetingLeuven, BelgiumMonday, 21 November, 2011 to Tuesday, 22 November, 2011 Read more about Selectivity prediction for the citronellal cyclization on various catalysts
Modeling citronellal cyclization in Cu3BTC2 and UiO-66 M. Vandichel, S. Cottenie, F. Vermoortele, D. De Vos, M. Waroquier, V. Van Speybroeck PosterConference / event / venue IAP FS2 6/27 Annual Network MeetingBrussels, BelgiumMonday, 29 November, 2010 to Tuesday, 30 November, 2010 Read more about Modeling citronellal cyclization in Cu3BTC2 and UiO-66
Modelling citronellal cyclization in Cu3(BTC)2 S. Cottenie, M. Vandichel, F. Vermoortele, D. De Vos, M. Waroquier, V. Van Speybroeck p. 349PosterConference / event / venue XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII)Noordwijkerhout, The NetherlandsMonday, 28 February, 2011 to Wednesday, 2 March, 2011 Read more about Modelling citronellal cyclization in Cu3(BTC)2
Modeling Lewis catalyzed reactions in Metal Organic Frameworks M. Vandichel, S. Cottenie, F. Vermoortele, D. De Vos, M. Waroquier, V. Van Speybroeck p. 120TalkConference / event / venue XIIth Netherlands' Catalysis and Chemistry ConferenceNoordwijkerhout, The NetherlandsMonday, 28 February, 2011 to Wednesday, 2 March, 2011 Read more about Modeling Lewis catalyzed reactions in Metal Organic Frameworks