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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Correlation between mobility and the hydrogen bonding network of water at an electrified-graphite electrode using

Masaya Imai1, Yasuyuki Yokota2, Ichiro Tanabe1

  • 1Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan. kfukui@chem.es.osaka-u.ac.jp.

Physical Chemistry Chemical Physics : PCCP
|January 4, 2020
PubMed

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