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Updated: May 17, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Automated Dynamic Flow Experimentation for Rapid Kinetic Fitting of Transition Metal Catalysis

Florian L Wagner1,2, Klara Silber1,2, Tobias A Doliner3

  • 1Institute of Chemistry, University of Graz, Graz, Heinrichstrasse 28, Austria.

Angewandte Chemie (International Ed. in English)
|May 15, 2026
PubMed

Keywords:
buchwald‐hartwig aminationcopper catalysisdata‐rich experimentationdynamic experimentsflow chemistrykineticself‐optimization

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