S.M.J. Rogge

Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations

S.M.J. Rogge, R. Demuynck, G. Maurin, S. Vandenbrande, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, J. Wieme, V. Van Speybroeck
ISBN/ISSN:
Talk

Conference / event / venue 

The Goodwin Group
Oxford, United Kingdom
Monday, 22 July, 2019

Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy

A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck
ISBN/ISSN:
Poster

Conference / event / venue 

MOFSIM2019
Ghent, Belgium
Wednesday, 10 April, 2019 to Friday, 12 April, 2019

Pages

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