TY  - RPRT
TI  - GDB-9-Ex_TD-DFT-PBE0: Dataset containing Time Dependent Density Functional Theory (TDDFT) calculations for organic molecules of the GDB-9-Ex dataset.
AU  - Mehta, Kshitij
AU  - Lupo Pasini, Massimiliano
AU  - Irle, Stephan
AU  - Yoo, Pilsun
AU  - Ganyushin, Dmitry
PY  - 2024
DO  - 10.13139/olcf/2318314
UR  - https://www.osti.gov/biblio/2318314
ID  - 2318314
ER  -