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Updated: Dec 16, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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AFIR explorations of transition states of extended unsaturated systems: automatic location of ambimodal transition

Takuma Ito1, Yu Harabuchi2, Satoshi Maeda3

  • 1Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo 060-8628, Japan.

Physical Chemistry Chemical Physics : PCCP
|July 2, 2020
PubMed

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