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Cite this dataset Kapil, V., and Engel, E. A. DFT polymorphs PNAS 2022 PBE TS benzene validation. ColabFit, 2023. https://doi.org/10.60732/01b77268
This dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange: Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_validation.