Replication Data for: Thermodynamics-informed Graph Neural Networks for Phase Transition Enthalpies
收藏DataCite Commons2025-06-03 更新2026-05-03 收录
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https://rdr.kuleuven.be/citation?persistentId=doi:10.48804/CBHEAB
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资源简介：
This data contains the code from SolProp the repository that was used for the training of the paper: https://gitlab.kuleuven.be/creas/vermeiregroup/solprop. Additionally, a digitized version of the Phase transition enthalpy compendium from Acree, W. and Chickos, J. S. is added. Please cite the following sources if you use it in your work:
[1] Acree, W. and Chickos, J. S. Phase Transition En-thalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion En-thalpies From 1880 to 2015. Part 1. C1-C10. Journal of Physical and Chemical Reference Data 2016, 45
[2] Acree, W. and Chickos, J. S. Phase transition en-thalpy measurements of organic and organometallic compounds and ionic liquids. sublimation, vaporization, and fusion enthalpies from 1880 to 2015. part 2. C11-C192. Journal of Physical and Chemical Reference Data 2017, 46
[3] Acree, W. and Chickos, J. S. Phase Transition En-thalpy Measurements of Organic Compounds. An Up-date of Sublimation, Vaporization, and Fusion En-thalpies from 2016 to 2021. Journal of Physical and Chemical Reference Data 2022, 51
提供机构：
KU Leuven RDR
创建时间：
2025-03-13
