Research Explorer

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Researcher

Karen Dedecker

Awards & Distinctions

3 Results

2020

Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction

Simon BailleulKaren DedeckerPieter CnuddeLouis VanduyfhuysMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CATALYSIS

Cation-pi Interactions accelerate the living cationic ring-opening polymerization of unsaturated 2-alkyl-2-oxazolines

Elias Van Den BroeckBart VerbraekenKaren DedeckerPieter CnuddeLouis VanduyfhuysToon VerstraelenKristof Van HeckeValentin-Victor JercaSaron CatakRichard Hoogenboom et al.

A1 Journal Article in MACROMOLECULES

2018

Protocol for identifying accurate collective variables in enhanced molecular dynamics simulations for the description of structural transformations in flexible metal-organic frameworks

Ruben DemuynckJelle WiemeSven RoggeKaren DedeckerLouis VanduyfhuysMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION