Table 2 Distribution statistics of data associated with Fig. 4.
From: Comparative dataset of experimental and computational attributes of UV/vis absorption spectra
Metric | Exp (nm) | sTDA (nm) | TD-DFT (nm) |
---|---|---|---|
Median | 378 | 327 | 344 |
Upper quartile | 445 | 371 | 403 |
Lower quartile | 331 | 303 | 315 |