https://iochem-bd.bsc.es/browse/handle/100/275454 ausr 2026-04-07T20:05:09Z https://iochem-bd.bsc.es/browse/handle/100/275455 Title: supporting_material Authors: Khatun, Maya Description: sample orca input and output file, dataset, csv bond length and energy property 2023-02-18T11:52:44Z