Karen Dedecker
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Published
2020
Cation−π Interactions Accelerate the Living Cationic Ring-Opening Polymerization of Unsaturated 2-Alkyl-2-oxazolines , , Macromolecules , 53, 10, 3832-3846 , 2020 , IF: 5.997 , 5/87 [Q1]
Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction , , Journal of Catalysis , 388, 38-51 , 2020 , IF: 6.844 , 5/135
2018
Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal–Organic Frameworks , , Journal of Chemical Theory and Computation , 14 (11), pp 5511–5526 , 2018 , IF: 5.313 , 6/36 [Q1]
Dissertations
(D2) , From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials , , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck , 2018
2019
Systematically identifying the collective variables describing phase transformations in flexible materials , , ML4MS , Helsinki, Finland , Mon, 06/05/2019 to Fri, 10/05/2019
Systematically identifying the collective variables describing phase transformations in flexible materials , , MOFSIM , Ghent, Belgium , Wed, 10/04/2019 to Fri, 12/04/2019
Systematically identifying the collective variables describing phase transformations in flexible materials , , MOLSIM2019 , Amsterdam, Netherlands , Mon, 07/01/2019 to Fri, 18/01/2019
2018
Towards an understanding of the role of π-cation interactions in accelerating living cationic ring-opening polymerization of unsaturated alkyl-2-oxazolines , , Cecam Workshop - Frontiers and challenges of computing metals for biochemical, medical and technological applications , Paris, France , Wed, 11/07/2018 to Fri, 13/07/2018