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Updated: Sep 27, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Theoretical study of the H/D isotope effect of CH4/CD4 adsorption on a Rh(111) surface using a combined plane wave

Hiroki Sakagami1, Masanori Tachikawa2, Takayoshi Ishimoto1,3,4

  • 1Graduate School of Nanobioscience, Yokohama City University 22-2 Seto, Kanazawa-ku Yokohama 236-0027 Japan.

RSC Advances
|April 15, 2022
PubMed

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