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Updated: Jun 16, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Non-adiabatic dynamics studies of the C+(2P1/2, 3/2) + H2 reaction: Based on global diabatic potential energy

Wentao Li1, Bin Dong1, Xianghong Niu2

  • 1Weifang University of Science and Technology, Shouguang 262700, China.

The Journal of Chemical Physics
|August 15, 2024
PubMed

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