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Updated: Jul 29, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Combinatorial Chemistry in Heterogeneous Catalysis: A New Scientific Approach or "the King's New Clothes"?
1Fritz-Haber-Institut der Max-Planck Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany), Fax: (+49) 30-8413-4401.
Abstract:
The spectacular success in materials science of the application of combinatorial chemistry has raised the hope that it may eventually lead to a new scientific approach to catalyst development. This method is, within the constraints of heterogeneous catalysis, merely a potentially efficient tool to be used in rational catalyst development and should not be considered an independent novel strategy towards rational catalyst design.
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