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Updated: Jul 3, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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A possibility to infer frustrations of supported catalytic clusters from macro-scale observations

Alexander Korobov1

  • 1Materials Chemistry Department, V. N. Karazin Kharkiv National University, Kharkiv, 61022, Ukraine. a.korobov@karazin.ua.

Scientific Reports
|February 16, 2024
PubMed

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