Raw Data to "Theoretical Study on the Photoacidity of Hydroxypyrene Derivatives in DMSO Using ADC(2) and CC2"

<p>This data is a supplement to the publication entitled &quot;Theoretical Study on the Photoacidity of Hydroxypyrene Derivatives in DMSO Using ADC(2) and CC2&quot; in the&nbsp;The Journal of Physical Chemistry A (DOI: 10.1021/acs.jpca.2c04436). It contains the structures (as &#39;.xyz&#39; files) and HF/DFT energies from the quantum chemical (QC) calculations using TURBOMOLE (version 7.4).</p> <p>Additional information on the file structure is given in the README file.</p>