S.M.J. Rogge
The development of advanced computer simulations to accurately predict the acidity of nanoporous materials
Modelling phase transitions in temperature-responsive flexible metal-organic frameworks: the delicate balance between dispersion and entropy
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Talk
Conference / event / venue
From Electrons to Phase Transitions
Vienna, Austria
Wednesday, 4 April, 2018 to Friday, 6 April, 2018
Influence of a confined methanol solvent on the reactivity of active sites in UiO-66
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Poster
Conference / event / venue
NCCC XIX
Noordwijkerhout,The Netherlands
Monday, 5 March, 2018 to Wednesday, 7 March, 2018
Insights in the Behaviour of MOFs through Molecular Modeling: from Force Field Derivation to Thermodynamic Analysis
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Talk
Conference / event / venue
DAMP
Montpellier, France
Thursday, 17 November, 2016
On the importance of NQEs in modelling the structural properties and thermal expansion of MOF-5
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Poster
Conference / event / venue
MolSim 2018
Amsterdam, The Netherlands
Thursday, 11 January, 2018
Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach
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Poster
Conference / event / venue
MolSim 2018
Amsterdam, The Netherlands
Thursday, 11 January, 2018
Thermodynamic Insight into Stimuli-Responsive Behavior of Soft Porous Crystals
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Talk
Conference / event / venue
EuroMOF 2017
Delft, The Netherlands
Tuesday, 31 October, 2017
Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach
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Poster
Conference / event / venue
EUROMOF 2017
Delft, The Netherlands
Monday, 30 October, 2017
On the importance of nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
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Poster
Conference / event / venue
EUROMOF 2017
Delft, The Netherlands
Monday, 30 October, 2017