Assessing the flexibility and loss of crystallinity in metal-organic frameworks from a thermodynamic point of view S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, S. Vandenbrande, G. Maurin, T. Verstraelen, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue EUROMOF 2017Delft, The NetherlandsMonday, 30 October, 2017 Read more about Assessing the flexibility and loss of crystallinity in metal-organic frameworks from a thermodynamic point of view
Impact of the mechanical pressure under various conditions on the flexibility of various metal-organic frameworks P.G. Yot, P. Ramaswamy, J. Wieme, L. Vanduyfhuys, C. Serre, V. Van Speybroeck, G. Maurin ISBN/ISSN:TalkConference / event / venue EUROMAT 2017Thessaloniki, GreeceSunday, 17 September, 2017 to Friday, 22 September, 2017 Read more about Impact of the mechanical pressure under various conditions on the flexibility of various metal-organic frameworks
A thermodynamic approach to accurately determine the flexibility and loss of crystallinity in metal-organic frameworks S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, S. Vandenbrande, G. Maurin, T. Verstraelen, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue EUROMAT 2017Thessaloníki, GreeceThursday, 21 September, 2017 Read more about A thermodynamic approach to accurately determine the flexibility and loss of crystallinity in metal-organic frameworks
Thermodynamic approach to accurately determine pressure profiles for metal-organic frameworks to assess their flexibility and loss of crystallinity S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, S. Vandenbrande, G. Maurin, T. Verstraelen, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue Thermodynamics 2017Edinburgh, UKWednesday, 6 September, 2017 Read more about Thermodynamic approach to accurately determine pressure profiles for metal-organic frameworks to assess their flexibility and loss of crystallinity
A thermodynamic approach to accurately determine pressure profiles for MOFs to assess their flexibility and loss of crystallinity S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, A. Ghysels, M. Waroquier, T. Verstraelen, G. Maurin, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue MOF-2016: 5th International Conference on Metal-Organic Frameworks & Open Framework CompoundsLong Beach, CA, USAMonday, 12 September, 2016 Read more about A thermodynamic approach to accurately determine pressure profiles for MOFs to assess their flexibility and loss of crystallinity
A thermodynamic approach to accurately determine pressure profiles for MOFs to assess their flexibility and loss of crystallinity S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, A. Ghysels, M. Waroquier, T. Verstraelen, G. Maurin, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Theory and Applications of Computational Chemistry 2016Seattle, WA, USAWednesday, 31 August, 2016 Read more about A thermodynamic approach to accurately determine pressure profiles for MOFs to assess their flexibility and loss of crystallinity
Unraveling the mechanical behaviour of MOFs: A thermodynamic exploration S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, A. Ghysels, M. Waroquier, T. Verstraelen, G. Maurin, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue DAMPMontpellier, FranceMonday, 18 July, 2016 Read more about Unraveling the mechanical behaviour of MOFs: A thermodynamic exploration
Metal-organic frameworks under pressure: A thermodynamic exploration S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, A. Ghysels, M. Waroquier, T. Verstraelen, G. Maurin, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue MolSim 2016: Understanding Molecular SimulationsAmsterdam, The NetherlandsFriday, 8 January, 2016 Read more about Metal-organic frameworks under pressure: A thermodynamic exploration
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 ISBN/ISSN:PosterConference / event / venue Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materialsBerlin, GermanyMonday, 13 July, 2015 to Thursday, 23 July, 2015 Read more about A comparison of barostats for the mechanical characterisation of MOFs
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