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These data are an add-on to the data available here. All of the reactions described in the following contain radicals, whereas the previous data contained none. Q-Chem output files, extracted SMILES, activation energies, and enthalpies of formation for 2024 B97-D3/def2-mSVP radical reactions and for 1367 ωB97X-D3/def2-TZVP radical reactions. The raw log files are stored in b97d3_rad.tar.gz and wb97xd3_rad.tar.gz for B97-D3/def2-mSVP and ωB97X-D3/def2-TZVP data, respectively. Each archive contains a separate folder for each reaction. Within each folder are three log files for a reaction corresponding to reactant, product, and transition state. Each log file contains the output of a geometry optimization and harmonic vibrational analysis. Atom-mapped SMILES, activation energies, and enthalpies of formation for each reaction are listed in the comma-separated values files b97d3_rad.csv and wb97xd3_rad.csv. The reactions are listed in the same order as the corresponding folders in the archive files.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
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