L. Vanduyfhuys

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
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Poster

Conference / event / venue 

Computational spectroscopy: bridging theory and experiment
Como, Italy
Sunday, 9 September, 2018 to Friday, 14 September, 2018

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 

Ab initio modeling in solid state chemistry
Torino, Italy
Sunday, 2 September, 2018 to Friday, 7 September, 2018

Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations

S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, J. Wieme, R. Demuynck, C. Stevens, P. Van der Voort, V. Van Speybroeck
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Poster

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MOFSIM 2019
Ghent, Belgium
Thursday, 11 April, 2019

Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations

S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, J. Wieme, R. Demuynck, C. Stevens, P. Van der Voort, V. Van Speybroeck
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Poster

Conference / event / venue 

MOLSIM2019
Amsterdam, The Netherlands
Thursday, 10 January, 2019

Towards an understanding of the role of π-cation interactions in accelerating living cationic ring-opening polymerization of unsaturated alkyl-2-oxazolines

E. Van den Broeck, B. Verbraeken, P. Cnudde, K. Dedecker, R. Demuynck, T. Verstraelen, L. Vanduyfhuys, S. Catak, R. Hoogenboom, V. Van Speybroeck
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Poster

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Cecam Workshop - Frontiers and challenges of computing metals for biochemical, medical and technological applications
Paris, France
Wednesday, 11 July, 2018 to Friday, 13 July, 2018

Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential

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

Conference / event / venue 

MOF2018
Auckland, New Zealand
Sunday, 9 December, 2018 to Thursday, 13 December, 2018

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