@misc{indiciae83eee30acaff, title = {GDB-9-Ex\_TD-DFT-PBE0: Dataset containing Time Dependent Density Functional Theory (TDDFT) calculations for organic molecules of the GDB-9-Ex dataset.}, author = {Mehta, Kshitij and Lupo Pasini, Massimiliano and Irle, Stephan and Yoo, Pilsun and Ganyushin, Dmitry}, year = {2024}, doi = {10.13139/olcf/2318314}, url = {https://www.osti.gov/biblio/2318314}, note = {Source identifier: 2318314} }