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Updated: Sep 5, 2025

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

Published on: April 12, 2019

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Asymptotic behavior of the electron-atom Compton profile due to the intramolecular H-atom motion in H2

Yuuki Onitsuka1, Yuichi Tachibana1, Masahiko Takahashi1

  • 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, 980-8577, Japan. masahiko@tohoku.ac.jp.

Physical Chemistry Chemical Physics : PCCP
|July 6, 2022
PubMed

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