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Supporting Datasets for "On the role of isomeric composition in determining the stability of liquid phases: A Molecular Dynamics study of acetaldehyde phenylhydrazone"

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Zenodo2025-09-26 更新2026-05-26 收录
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Molecular Dynamics trajectories of: liquid Z and E isomers of acetaldehyde phenylhydrazone (APH); solutions of Z-APH and E-APH at different E/Z ratios; using the Parrinello-Rahman barostat and the CSVR thermostat starting from the last frame of previous trajectories in version 2.0; the data were obtained with the MiCMoS v2.4 free software Https://Sites.Unimi.It/Xtal_chem_group/; see readme.txt file within the archive for details.

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创建时间:
2025-08-10
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