G. Maurin

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:
Talk

Conference / event / venue 

Thermodynamics 2017
Edinburgh, UK
Wednesday, 6 September, 2017

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:
Poster

Conference / event / venue 

MOF-2016: 5th International Conference on Metal-Organic Frameworks & Open Framework Compounds
Long Beach, CA, USA
Monday, 12 September, 2016

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:
Poster

Conference / event / venue 

Theory and Applications of Computational Chemistry 2016
Seattle, WA, USA
Wednesday, 31 August, 2016

On the comparison of different barostat implementations for the prediction of the breathing behavior in MIL-53 frameworks

S.M.J. Rogge, L. Vanduyfhuys, T. Verstraelen, G. Maurin, V. Van Speybroeck
ISBN/ISSN:
Poster

Conference / event / venue 

MolSim 2015: Understanding Molecular Simulations
Amsterdam, The Netherlands
Monday, 5 January, 2015 to Friday, 16 January, 2015

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