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colabfit/
QM-22_Acetaldehyde_triplet

interatomic potential

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	Cite this dataset Fu, B., Han, Y., Bowman, J. M., Angelucci, L., Balucani, N., Leonori, F., and Casavecchia, P. QM-22 Acetaldehyde triplet. ColabFit, 2025. https://doi.org/10.60732/d66c9888




	
	This dataset has been curated and formatted for the ColabFit Exchange




	
	This dataset is also available on the ColabFit Exchange:

https://materials.colabfit.org/id/DS_0baqiwozmy40_0

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