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Updated: Jan 6, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Efficient Vibrational Energy Redistribution between Stretching Modes: State-to-State Quantum Scattering of H_{2}O

Liang Zhang1, Bin Jiang1

  • 1Hefei National Laboratory for Physical Science at the Microscale, Department of Chemical Physics, Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes, University of Science and Technology of China, Hefei, Anhui 230026, China.

Physical Review Letters
|October 2, 2019
PubMed

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