Quasi-1D physics in breathing metal-organic frameworks D.E.P. Vanpoucke, J. Jaeken, S. De Baerdemacker, V. Van Speybroeck, K. Lejaeghere ISBN/ISSN:PosterConference / event / venue DZA 2014 meetingGhent, BelgiumTuesday, 7 October, 2014 Read more about Quasi-1D physics in breathing metal-organic frameworks
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 ISBN/ISSN:PosterConference / event / venue IAP P7/05 Annual meeting 2014Louvain-La-Neuve, BelgiumFriday, 19 September, 2014 Read more about New quasi-1D materials: DFT-study of breathing metal-organic frameworks
Hirshfeld-I charges: from molecules to solids: implementation, pitfalls and applications D.E.P. Vanpoucke, S. Cottenier, T. Verstraelen, V. Van Speybroeck, S. Van Damme, P. Bultinck, I. Van Driessche ISBN/ISSN:PosterConference / event / venue Quantum Chemistry in BelgiumNamur, BelgiumThursday, 23 January, 2014 Read more about Hirshfeld-I charges: from molecules to solids: implementation, pitfalls and applications
Engineering light-absorption in MOFs: Combined experimental and theoretical study of UiO-66 K. Hendrickx, K. Hemelsoet, D.E.P. Vanpoucke, P. Van der Voort, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue Modeling Photoactive MoleculesNantes - FranceTuesday, 21 April, 2015 to Friday, 24 April, 2015 Read more about Engineering light-absorption in MOFs: Combined experimental and theoretical study of UiO-66
From Accurate Models to Zero Emissions L. Joos, B. Smit, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue 15th FEA Research SymposiumGent, BelgiumFriday, 5 December, 2014 Read more about From Accurate Models to Zero Emissions
Carbon Capture Turned Upside Down with HALD: High-temperature Adsorption & Low-temperature Desorption L. Joos, K. Lejaeghere, J. Huck, V. Van Speybroeck, B. Smit ISBN/ISSN:PosterConference / event / venue Gordon Research ConferenceEaston, MA, USASunday, 31 May, 2015 to Friday, 5 June, 2015 Read more about Carbon Capture Turned Upside Down with HALD: High-temperature Adsorption & Low-temperature Desorption
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 ISBN/ISSN:PosterConference / event / venue 9th International Conference on Chemical Kinetics (ICCK 2015)Ghent, BelgiumSunday, 28 June, 2015 to Thursday, 2 July, 2015 Read more about Static and dynamic study of alkene cracking intermediates in H-ZSM-5
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 ISBN/ISSN:PosterConference / event / venue Next generation quantum based molecular dy-namics: challenges and perspectivesBremen, GermanyMonday, 13 July, 2015 to Friday, 17 July, 2015 Read more about The vibrational fingerprint of the electronic excitation energy of molecular systems via molecular dynamics
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 ISBN/ISSN:TalkConference / event / venue IAP work meeting of WP2 “Supramolecular catalysis, photocatalysis and advanced separations"Leuven, BelgiumMonday, 11 May, 2015 Read more about Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2
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 ISBN/ISSN:PosterConference / event / venue Flexibility and disorder in Metal-Organic FrameworksParis, FranceWednesday, 3 June, 2015 to Friday, 5 June, 2015 Read more about Modeling breathing of Mil-53: from force fields to thermodynamic insights