Dataset of "Neutron imaging and molecular simulation of systems from methane and p‑xylene"
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资源简介：
The dataset contains parameterizations, and input files for molecular dynamics simulations used in the study of methane dissolution in p-xylene. For selected conditions, full simulation data, i.e., trajectories and energetics are provided. All used simulation results data are provided in the table, along with the measured experimental data.
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Zenodo创建时间：
2024-12-04
