Three years of computer experiments about Po and LBE: what did we learn? K. Rijpstra, A. Van Yperen-De Deyne, V. Van Speybroeck, S. Cottenier ISBN/ISSN:Invited talkConference / event / venue SEARCH/MAXIMA 2014 International WorkshopKarlsruhe, GermanyFriday, 3 October, 2014 Read more about Three years of computer experiments about Po and LBE: what did we learn?
Combined Theoretical and Experimental Study on the Influence of Zeolitic Acid Strength on the Methanol Conversion Process K. De Wispelaere, M. Westgård Erichsen, K. Hemelsoet, S.L. Moors, T. Deconinck, S. Svelle, M. Waroquier, U. Olsbye, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingHasselt, BelgiumFriday, 11 September, 2015 Read more about Combined Theoretical and Experimental Study on the Influence of Zeolitic Acid Strength on the Methanol Conversion Process
Insights in the Behaviour of Metal-Organic Frameworks through Molecular Modeling: from Force Field Derivation to Thermodynamic Analysis L. Vanduyfhuys Wed, 04/11/2015Ghent University AULA, Voldersstraat, Ghenthttp://hdl.handle.net/1854/LU-6976303Supervisors Prof. Dr. ir. Veronique Van Speybroeck Read more about Insights in the Behaviour of Metal-Organic Frameworks through Molecular Modeling: from Force Field Derivation to Thermodynamic Analysis
Advanced Molecular Models for the Design of Entropy-Driven Processes and Tailored Nanomaterials to Reduce CO2 and NOx Emissions L. Joos Thu, 22/10/2015Het Pand, Onderbergen, Ghenthttp://hdl.handle.net/1854/LU-6963858Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. C. Kirschhock Read more about Advanced Molecular Models for the Design of Entropy-Driven Processes and Tailored Nanomaterials to Reduce CO2 and NOx Emissions
Design of Metal Organic Frameworks for the Catalytic Production of Fine Chemicals: a Combined Experimental and Computational Investigation T. Bogaerts Fri, 25/09/2015Het Pand, Onderbergen, Ghenthttp://hdl.handle.net/1854/LU-6958435Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Pascal Van Der Voort Read more about Design of Metal Organic Frameworks for the Catalytic Production of Fine Chemicals: a Combined Experimental and Computational Investigation
'Quality control: Has your DFT code been Δ-approved? K. Lejaeghere, V. Van Speybroeck, W. Poelmans, S. Cottenier ISBN/ISSN:PosterConference / event / venue Psi-k 2015Donostia-San Sebastián, SpainMonday, 7 September, 2015 to Thursday, 10 September, 2015 Read more about 'Quality control: Has your DFT code been Δ-approved?
'Understanding intrinsic light absorption properties of UiO-66 frameworks: A combined theoretical and experimental study K. Hendrickx, D.E.P. Vanpoucke, K. Leus, K. Lejaeghere, A. Van Yperen-De Deyne, V. Van Speybroeck, P. Van der Voort, K. Hemelsoet ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingHasselt, BelgiumFriday, 11 September, 2015 Read more about 'Understanding intrinsic light absorption properties of UiO-66 frameworks: A combined theoretical and experimental study
'Bringing DFT codes back to the test bench: what did we learn? K. Lejaeghere, V. Van Speybroeck, S. Cottenier ISBN/ISSN:TalkConference / event / venue Psi-k 2015Donostia-San Sebastián, SpainMonday, 7 September, 2015 to Thursday, 10 September, 2015 Read more about 'Bringing DFT codes back to the test bench: what did we learn?
Ab initio study on the nature of intermediates in zeolite catalyzed butene cracking P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingHasselt, BelgiumFriday, 11 September, 2015 Read more about Ab initio study on the nature of intermediates in zeolite catalyzed butene cracking
Advanced molecular simulations to accurately characterize metal-organic frameworks J. Wieme, L. Vanduyfhuys, K. Lejaeghere, S.M.J. Rogge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingHasselt, BelgiumFriday, 11 September, 2015 Read more about Advanced molecular simulations to accurately characterize metal-organic frameworks